3,5-Diamino-1,2,4-triazole - ≥98% , CAS No.1455-77-2

CAS: 1455-77-2 Cat. No.: D132247 Molecular Weight: 99.1 Beilstein Registry Number: 112467 EC Number: 215-937-2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AI3-51272 | 1,2,4-Triazolidine, 3,5-diimino- | Guanazole | MFCD00005233 | NCI-C04819 | 3,5-DIAMINO-1,2,4-TRIAZOLE | FT-0691053 | 3,5-Diamino-1H-1,2,4-triazole | BIDD:GT0366 | s-Triazole, 3,5-diamino- | DTXCID705367 | AKOS000120421 | NSC1895 | NSC-1895
Storage
Room temperature,Argon charged,Desiccated,Cool
Shipped In
Normal
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Size
Status
Price
Qty
5g
D132247-5g
8
$9.90
10g
D132247-10g
2
$10.90
25g
D132247-25g
7

$13.90

$20.90
Save $7.00 (33.49%)
100g
D132247-100g
10

$33.90

$50.90
Save $17.00 (33.40%)
500g
D132247-500g
2
$199.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature,Argon charged,Desiccated,Cool Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 42 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Inhibitor of DNA synthesis.


Application:

3,5-Diamino-1,2,4-triazole is used as an inhibitor of DNA synthesis. It also serves as an antitumor agents in the treatment of epigenetically-based diseases. It acts as a corrosion inhibitor for copper.


Specifications

Synonyms
AI3-51272 | 1, 2, 4-Triazolidine, 3, 5-diimino- | Guanazole | MFCD00005233 | NCI-C04819 | 3, 5-DIAMINO-1, 2, 4-TRIAZOLE | FT-0691053 | 3, 5-Diamino-1H-1, 2, 4-triazole | BIDD:GT0366 | s-Triazole, 3, 5-diamino- | DTXCID705367 | AKOS000120421 | NSC1895 | NSC-1895
Specifications & Purity
≥98%
Storage
Room temperature, Argon charged, Desiccated, Cool
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488182061
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182061
Canonical SmilesC1(=NC(=NN1)N)N
IUPAC Name1H-1,2,4-triazole-3,5-diamine
InChIKeyPKWIYNIDEDLDCJ-UHFFFAOYSA-N
INCHI1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)
Isomeric SMILES C1(=NC(=NN1)N)N
WGK Germany 3
RTECS XZ4535000
Molecular Weight 99.1
Beilstein 112467
Reaxy-Rn 112467
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112467&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassTriazoles
Intermediate Tree Nodes Not available
Direct ParentTriazoles
Alternative Parents Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.
External Descriptors aromatic amine - triazoles
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A498 (42825 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHN (49357 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CAKI-1 (44928 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO 205 (50209 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DLD-1 (17511 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DMS-273 (14108 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DU-145 (51482 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HL-60 (67320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KM12 (47707 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
M14 (47487 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLT-4 (49676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-3 (48710 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-4 (44535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-5 (45555 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OVCAR-8 (47708 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RPMI-8226 (44974 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXF 393 (41971 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SF-295 (48000 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-2 (46422 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-28 (48833 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-MEL-5 (47095 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SN12C (47755 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNB-19 (46794 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SNB-78 (14240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TK-10 (45540 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-257 (46019 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UACC-62 (47335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UO-31 (46270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
XF498 (12972 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
786-0 (47912 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI/ADR-RES (33767 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EKVX (44102 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H322M (45589 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCC 2998 (41480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOP-18 (11577 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HOP-92 (41141 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hs-578T (29457 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NCI-H460 (60772 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
L1210 (27553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P388 (20296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P388/ADR (1216 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

44 results found

Lot NumberCertificate TypeDateItem
E2615267Certificate of AnalysisMay 07, 2026 D132247
E2615262Certificate of AnalysisMay 07, 2026 D132247
L2304200Certificate of AnalysisSep 09, 2025 D132247
L2304199Certificate of AnalysisSep 09, 2025 D132247
L2304191Certificate of AnalysisSep 09, 2025 D132247
H2514296Certificate of AnalysisAug 04, 2025 D132247
F2527390Certificate of AnalysisJun 19, 2025 D132247
F2527391Certificate of AnalysisJun 19, 2025 D132247
F2527389Certificate of AnalysisJun 19, 2025 D132247
F2527388Certificate of AnalysisJun 19, 2025 D132247
E2519101Certificate of AnalysisMay 08, 2025 D132247
E2519157Certificate of AnalysisMay 08, 2025 D132247
E2519158Certificate of AnalysisMay 08, 2025 D132247
E2330913Certificate of AnalysisApr 18, 2025 D132247
E2330942Certificate of AnalysisMar 04, 2025 D132247
E2330943Certificate of AnalysisMar 04, 2025 D132247
E2330957Certificate of AnalysisMar 04, 2025 D132247
E2330912Certificate of AnalysisMar 04, 2025 D132247
D2303402Certificate of AnalysisJan 14, 2025 D132247
D2303320Certificate of AnalysisJan 14, 2025 D132247
I2217299Certificate of AnalysisJul 05, 2024 D132247
H2402201Certificate of AnalysisJun 15, 2024 D132247
B2528640Certificate of AnalysisJun 15, 2024 D132247
H2402202Certificate of AnalysisJun 15, 2024 D132247
H2402200Certificate of AnalysisJun 15, 2024 D132247
H2402199Certificate of AnalysisJun 15, 2024 D132247
C2511299Certificate of AnalysisJun 14, 2024 D132247
J2421438Certificate of AnalysisJun 14, 2024 D132247
J2421433Certificate of AnalysisJun 14, 2024 D132247
J2421436Certificate of AnalysisJun 14, 2024 D132247
B2216086Certificate of AnalysisDec 12, 2023 D132247
B2216117Certificate of AnalysisDec 12, 2023 D132247
B2216085Certificate of AnalysisDec 12, 2023 D132247
L2304194Certificate of AnalysisNov 18, 2023 D132247
L2304193Certificate of AnalysisNov 18, 2023 D132247
L2304192Certificate of AnalysisNov 18, 2023 D132247
J2111596Certificate of AnalysisJul 10, 2023 D132247
E2417085Certificate of AnalysisMay 11, 2023 D132247
E2330941Certificate of AnalysisMay 11, 2023 D132247
I2219124Certificate of AnalysisJul 21, 2022 D132247
I2219120Certificate of AnalysisJul 21, 2022 D132247
I2219118Certificate of AnalysisJul 21, 2022 D132247
G2308215Certificate of AnalysisJul 21, 2022 D132247
B2216345Certificate of AnalysisDec 11, 2021 D132247

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Chemical and Physical Properties
SolubilitySoluble in water.
SensitivityAir sensitive
Melt Point(°C)202-205°C
Molecular Weight99.100 g/mol
XLogP3-0.700
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass99.0545 Da
Monoisotopic Mass99.0545 Da
Topological Polar Surface Area93.600 Ų
Heavy Atom Count7
Formal Charge0
Complexity63.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
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35. Xida Zhang, Chunlei He, Zhongwei Chen, Tingting Chen, Zhiquan Chen, Lei Ni, Yuan Yu, Juncheng Jiang.  (2025)  A Phosphate-Imidazoline-Boron Ester Reactive Flame Retardant Facilitating B → N Coordination to Enhance Epoxy Resin.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.5c01350]
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