ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazole-4-carboxylate , CAS No.296769-60-3

CAS: 296769-60-3 Cat. No.: E668392 Molecular Weight: 300.27 PubChem CID: 684207
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Synonyms
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazole-4-carboxylate | MLS000105690 | SMR000102668 | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carboxylate | 1H-1,2,3-Triazole-4-carboxylic acid,1-(4-amino-1,2,5-oxadiazol-3-yl)-5-
Storage
Room temperature
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Size
Status
Price
Qty
1mg
E668392-1mg
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$571.90

$999.90
Save $428.00 (42.80%)
5mg
E668392-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
ethyl 1-(4-amino-1, 2, 5-oxadiazol-3-yl)-5-phenyl-1H-1, 2, 3-triazole-4-carboxylate | MLS000105690 | SMR000102668 | ethyl 1-(4-amino-1, 2, 5-oxadiazol-3-yl)-5-phenyltriazole-4-carboxylate | 1H-1, 2, 3-Triazole-4-carboxylic acid, 1-(4-amino-1, 2, 5-oxadiazol-3-yl)-5-
Storage
Room temperature
Product Properties
ALogP1.4
Names and Identifiers
Canonical SmilesCCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CC=C3
IUPAC Nameethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carboxylate
InChIKeyXZSMHRAGXUUTQP-UHFFFAOYSA-N
INCHI1S/C13H12N6O3/c1-2-21-13(20)9-10(8-6-4-3-5-7-8)19(18-15-9)12-11(14)16-22-17-12/h3-7H,2H2,1H3,(H2,14,16)
Isomeric SMILES CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC=CC=C3
PubChem CID 684207
Molecular Weight 300.27

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassTriazoles
Intermediate Tree Nodes Phenyltriazoles
Direct ParentPhenyl-1,2,3-triazoles
Alternative Parents Imidolactams  Benzene and substituted derivatives  Vinylogous amides  Heteroaromatic compounds  Furazans  Carboxylic acid esters  Amino acids and derivatives  Monocarboxylic acids and derivatives  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenyl-1,2,3-triazole - Monocyclic benzene moiety - Imidolactam - Benzenoid - Furazan - Oxadiazole - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP1A2 Tchem Cytochrome P450 1A2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 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:
Chemical and Physical Properties
Molecular Weight300.270 g/mol
XLogP31.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass300.097 Da
Monoisotopic Mass300.097 Da
Topological Polar Surface Area122.000 Ų
Heavy Atom Count22
Formal Charge0
Complexity392.000
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
Solution Calculators
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