AG008VA4

1211390-33-8 | 3-Cyclopropyl-1H-1,2,4-triazole

AG008VA4

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CAS Number	1211390-33-8
Catalog Number	AG008VA4(AGN-PC-0WB5KB)
Chemical Name	3-Cyclopropyl-1H-1,2,4-triazole
IUPAC Name	5-cyclopropyl-1H-1,2,4-triazole
InChI	InChI=1S/C5H7N3/c1-2-4(1)5-6-3-7-8-5/h3-4H,1-2H2,(H,6,7,8)
InChI Key	KTIRQJGWLMORDV-UHFFFAOYSA-N
MDL Number	MFCD13188610
Molecular Formula	C5H7N3
Molecular Weight	109.1292
SMILES	C1(C2CC2)=NNC=N1
Synonyms	3-CYCLOPROPYL-1H-1,2,4-TRIAZOLE, 1211390-33-8, KTIRQJGWLMORDV-UHFFFAOYSA-N, 3-cyclopropyl-4H-1,2,4-triazole, 5-cyclopropyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole,5-cyclopropyl-, SCHEMBL4947675, DTXSID20599042, ALBB-013546, MFCD13188610, ZINC41057612, 1H-1,2,4-Triazole, 3-Cyclopropyl, AKOS005174201, 1H-1,2,4-triazole, 3-cyclopropyl-, MCULE-6197162697, 3-CYCLOPROPYL-1H-124-TRIAZOLE, AB0091418, AJ-103935, BB 0257965, FT-0683744, 3-cyclopropyl-1H-1,2,4-triazole(SALTDATA, Y-7390, I14-27359, Z2130641619,

Complexity	89.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	109.064g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	109.132g/mol
Monoisotopic Mass	109.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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

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