AG00377E

4922-98-9 | 5-Phenyl-4H-1,2,4-triazol-3-amine

AG00377E

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CAS Number	4922-98-9
Catalog Number	AG00377E(AGN-PC-0JM1H7)
Chemical Name	5-Phenyl-4H-1,2,4-triazol-3-amine
IUPAC Name	5-phenyl-1H-1,2,4-triazol-3-amine
InChI	InChI=1S/C8H8N4/c9-8-10-7(11-12-8)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
InChI Key	GHUDJFJZFUVPIQ-UHFFFAOYSA-N
MDL Number	MFCD00086332
Molecular Formula	C8H8N4
Molecular Weight	160.1759
SMILES	C1(=CC=CC=C1)C=1NC(=NN1)N
UNII	QA2L2ED2R9
Synonyms	5-Phenyl-1H-1,2,4-triazol-3-amine, 4922-98-9, 5-phenyl-4H-1,2,4-triazol-3-amine, 3-phenyl-1H-1,2,4-triazol-5-amine, 5-Phenyl-1H-[1,2,4]triazol-3-ylamine, 1H-1,2,4-Triazol-3-amine, 5-phenyl-, NSC 34794, 1H-1,2,4-Triazole, 3-amino-5-phenyl-, NSC 96969, UNII-QA2L2ED2R9, QA2L2ED2R9, 3-Amino-5-phenyl-1H-1,2,4-triazole, 5-Amino-2-phenyl-1H-1,3,4-triazole, AI3-60178, MLS000738090, 2-Fenil-5-amino-1,3,4-triazolo [Italian], GHUDJFJZFUVPIQ-UHFFFAOYSA-N, 1H-1,4-Triazol-3-amine, 5-phenyl-, 1H-1,4-Triazole, 3-amino-5-phenyl-, SMR000122122, SR-01000512771, 2-Fenil-5-amino-1,3,4-triazolo, ACMC-209kfe, AC1Q4VXY, AC1L3V2H, MLS000525248, SCHEMBL538459, CHEMBL1568624, CTK4J1177, DTXSID30197735, HMS2374H08, AC1Q5344, ALBB-012368, KS-000019UI, NSC34794, NSC96969, 3-amino-5-phenyl-1,2,4-triazole, 5-amino-3-phenyl-1,2,4-triazole, 3-Amino-5-phenyl[1,2,4]triazole, 8058AF, ANW-30744, ANW-74676, BBL003983, CP-423, MFCD00465593, MFCD01859797, NSC-34794, NSC-96969, RW3693, SBB082826, STK422228, ZINC17285513, AKOS000111498, AKOS000301955, AKOS002676095, MCULE-4675342810, QC-2237, 5-phenyl-2H-1,2,4-triazol-3-amine, NCGC00245501-01, NCGC00245501-02, 1H-1,2,4-Triazol-5-amine,3-phenyl-, 3-phenyl-1H-1,2,4-triazole-5-ylamine, 5-phenyl-1H-1,2,4-triazole-3-ylamine, AJ-70011, AK-35315, BAS 01171840, CJ-15757, DS-12606, ST065314, 5-phenyl-2H-(1,2,4)triazol-3-ylamine, 5-Phenyl-4H-[1,2,4]triazol-3-ylamine, AB0062478, DB-007101, LS-155764, TC-030445, TC-119489, BB 0219942, BB 0258862, CS-0037015, FT-0080297, FT-0602737, H3305, R2023, V6169, EN300-11212, K-9205, 1H-1,2,4-Triazol-3-amine, 5-phenyl- (9CI), AE-477/25037009, I14-8911, SR-01000512771-1, SR-01000512771-2, Z57040470, C8H8N4, C8-H8-N4, CID95778, AR-1G9392, CB10214, 10495-62-2, 51541-51-6,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.075g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	160.18g/mol
Monoisotopic Mass	160.075g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	67.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number