3-Amino-5,6-dimethyl-1,2,4-triazine - ≥98% , CAS No.17584-12-2

CAS: 17584-12-2 Cat. No.: A151175 Molecular Weight: 124.15 EC Number: 241-552-4

GRADE & PURITY ≥98%

Synonyms

Q27294206 | dimethyl-1,2,4-triazin-3-amine | Q-102024 | E56P3N5XX3 | UNII-Y36ASR52NU | AI3-60314 | A3903 | SB73239 | EINECS 241-552-4 | InChI=1/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9 | Y36ASR52NU | MLS000078838 | NSC 55646 | AKOS002160536 | 3-Amino-

Storage

Room temperature

Shipped In

Normal

Overview

Product description

 3-Amino-5,6-dimethyl-1,2,4-triazine reacts with silver trifluoro¬methane¬sulfonate to yield tris(3-amino-5,6-dimethyl-1,2,4-triazine-κN)silver(I) trifluromethane-sulfonate-3-amino-5,6-dimethyl-1,2,4-triazine. It reacts with an excess of benzoyl chloride in the presence of triethylamine in refluxing chloroform to give 3-dibenzoylamino-5,6-dimethyl-1,2,4-triazine.

Application

3-Amino-5,6-dimethyl-1,2,4-triazine was used in intramolecular cyclization reaction of various 1,2-bis(amidinohydrazone)s.

Specifications

Synonyms

Q27294206 | dimethyl-1, 2, 4-triazin-3-amine | Q-102024 | E56P3N5XX3 | UNII-Y36ASR52NU | AI3-60314 | A3903 | SB73239 | EINECS 241-552-4 | InChI=1/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3, (H2, 6, 7, 9 | Y36ASR52NU | MLS000078838 | NSC 55646 | AKOS002160536 | 3-Amino-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186399
• Canonical Smiles: CC1=C(N=NC(=N1)N)C
• IUPAC Name: 5,6-dimethyl-1,2,4-triazin-3-amine
• InChIKey: UIKGLXJNZXSPGV-UHFFFAOYSA-N
• INCHI: 1S/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9)
• Isomeric SMILES: CC1=C(N=NC(=N1)N)C
• WGK Germany: 3
• RTECS: XY3177100
• Molecular Weight: 124.15
• Reaxy-Rn: 118790
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118790&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotriazines
• Alternative Parents: 1,2,4-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminotriazine - 1,2,4-triazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminotriazines. These are organic compounds containing an amino group attached to a triazine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium berghei (192651 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 210 °C
• Molecular Weight: 124.140 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 124.075 Da
• Monoisotopic Mass: 124.075 Da
• Topological Polar Surface Area: 64.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 95.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1