AG002LCN

22882-41-3 | 5-Isopropyl-1h-1,2,4-triazol-3-amine nitrate

AG002LCN

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CAS Number	22882-41-3
Catalog Number	AG002LCN(AGN-PC-0KKL2R)
Chemical Name	5-Isopropyl-1h-1,2,4-triazol-3-amine nitrate
IUPAC Name	5-propan-2-yl-1H-1,2,4-triazol-3-amine
InChI	InChI=1S/C5H10N4/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H3,6,7,8,9)
InChI Key	MDLFQCVYROBFIW-UHFFFAOYSA-N
MDL Number	MFCD05182316
Molecular Formula	C5H10N4
Molecular Weight	126.1597
SMILES	NC1=NN=C(C(C)C)N1
Synonyms	22882-41-3, 5-Isopropyl-4H-1,2,4-triazol-3-amine, 3-Amino-5-isopropyl-1,2,4-triazole, 5-(propan-2-yl)-4H-1,2,4-triazol-3-amine, 5-propan-2-yl-1H-1,2,4-triazol-3-amine, 5-isopropyl-1H-1,2,4-triazol-3-amine nitrate, MDLFQCVYROBFIW-UHFFFAOYSA-N, 5-isopropyl-1H-1,2,4-triazol-3-amine, 3-(propan-2-yl)-1H-1,2,4-triazol-5-amine, 1H-1,2,4-Triazol-5-amine,3-(1-methylethyl)-, 3-(methylethyl)-1H-1,2,4-triazole-5-ylamine, AC1MBTMQ, AC1Q1OY9, SCHEMBL231287, CHEMBL499734, SCHEMBL10197493, CTK4F0383, CTK6A4369, DTXSID80373380, HMS1623L19, ALBB-010747, ZINC6821284, BBL009430, MFCD18796168, SBB042027, STK728988, 3-amino-5-isopropyl-1,2,4-triazol, AKOS000268858, AKOS000270387, AKOS005172522, 3-Amino-5-isopropyl[1,2,4]triazole, MCULE-3113416330, NE47589, 3-isopropyl-1H-1,2,4-triazol-5-amine, AK306157, DS-12223, 3-amino-5-isopropyl-1H-1,2,4-triazole, 3-Amino-5-isopropyl-4H-1,2,4-triazole, 3-isopropyl-1H-1,2,4-triazole-5-amine, 5-Isopropyl-4H-1,2,4-triazol-3-ylamine, FT-0683085, ST50215711, T4543, EN300-60956, A816398, 1H-1,2,4-Triazol-5-amine, 3-(1-methylethyl)-, 1H-1,2,4-triazol-3-amine, 5-(1-methylethyl)-, nitrate (1:1), ZINC03723179, CID2756463,

Complexity	93
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	126.091g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	126.163g/mol
Monoisotopic Mass	126.091g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	67.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number