AG00392U

7411-16-7 | 3-Ethyl-1H-1,2,4-triazole

AG00392U

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CAS Number	7411-16-7
Catalog Number	AG00392U(AGN-PC-0OHDVT)
Chemical Name	3-Ethyl-1H-1,2,4-triazole
IUPAC Name	5-ethyl-1H-1,2,4-triazole
InChI	InChI=1S/C4H7N3/c1-2-4-5-3-6-7-4/h3H,2H2,1H3,(H,5,6,7)
InChI Key	JDIPHBYZUMQFQV-UHFFFAOYSA-N
MDL Number	MFCD13188563
Molecular Formula	C4H7N3
Molecular Weight	97.1185
SMILES	C(C)C1=NNC=N1
Synonyms	3-Ethyl-1H-1,2,4-triazole, 7411-16-7, 1H-1,2,4-Triazole, 3-ethyl-, 3-ethyl-4H-1,2,4-triazole, 3-ETHYL-1,2,4(1H)-TRIAZOLE, JDIPHBYZUMQFQV-UHFFFAOYSA-N, s-Triazole, 3-ethyl-, 3-ethyl-1H-[1,2,4]triazole, ethyl-1,2,4-triazole, AC1L2N2B, 5-ethyl-1H-1,2,4-triazole, DTXSID40225058, 3-Ethyl-1H-1,2,4-triazole #, ALBB-012345, ZINC5688507, 9052AE, MFCD13188563, AKOS005173627, AJ-54573, AK124531, AB0157678, FT-0683563, Y-7352, I14-26837, Z2065464313, C4H7N3, CID23891,

Complexity	54.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	97.064g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	97.121g/mol
Monoisotopic Mass	97.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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