AG00DCTY

51884-11-8 | 5-(4-methylphenyl)-4H-1,2,4-triazol-3-amine

AG00DCTY

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CAS Number	51884-11-8
Catalog Number	AG00DCTY(AGN-PC-0JVU1A)
Chemical Name	5-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
IUPAC Name	5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine
InChI	InChI=1S/C9H10N4/c1-6-2-4-7(5-3-6)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
InChI Key	OFNBXLBLUCECGY-UHFFFAOYSA-N
MDL Number	MFCD00461061
Molecular Formula	C9H10N4
Molecular Weight	174.2025
SMILES	CC1=CC=C(C2NC(N)=NN=2)C=C1
Synonyms	51884-11-8, 5-(4-methylphenyl)-4H-1,2,4-triazol-3-amine, 5-(p-Tolyl)-4H-1,2,4-triazol-3-amine, 3-(4-methylphenyl)-1H-1,2,4-triazol-5-amine, 5-(4-methylphenyl)-1H-1,2,4-triazol-3-amine, 1H-1,2,4-Triazol-5-amine, 3-(4-methylphenyl)-, SR-01000397181, ACMC-1ALRW, AC1Q4VXW, AC1Q2K7W, Cambridge id 5304233, AC1LF572, CHEMBL448223, SCHEMBL5792174, SCHEMBL12405422, SCHEMBL19569164, CTK4J5032, CTK8D5795, DTXSID60353645, ALBB-017028, ZINC5730546, ANW-31359, BBL020137, MFCD00465596, SBB083027, STK885310, AKOS000118365, AKOS002675269, AKOS002783609, MCULE-3567269691, AJ-54650, CJ-12698, AB0053766, TC-120104, 5-(p-Tolyl)-1H-1,2,4-triazol-3-amine, FT-0684096, R3233, ST24032882, ST50973859, V6360, EN300-14520, K-9515, 5-(4-methylphenyl)-2H-1,2,4-triazol-3-amine, 1H-1,2,4-Triazol-5-amine,3-(4-methylphenyl)-, 3-(4-Methylphenyl)-5-amino-1H-1,2,4-triazole, 884M118, 1H-1,2,4-Triazol-3-amine, 5-(4-methylphenyl)-, 3-(4-methylphenyl)-1H-1,2,4-triazole-5-ylamine, 5-(4-methylphenyl)-4H-1,2,4-triazole-3-ylamine, I05-1464, SR-01000397181-1, SR-01000397181-2, Z57170086, (S)-3-(tert-Butyloxycarbonyl)amino-4-phenylbutyric acid, 3-(4-Methylphenyl)-1H-1,2,4-triazol-5-amine, AldrichCPR, C9H10N4, AR-1E7085, CID747058, ZINC03164339, 5-p-tolyl-4H-1,2,4-triazol-3-amine, 5220-68-8,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.091g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	174.207g/mol
Monoisotopic Mass	174.091g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	67.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
UN Code

Certificate of Analysis

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