3-chloro-N-methyl-1H-1,2,4-triazole-5-carboxamide


Chemical Name: 3-chloro-N-methyl-1H-1,2,4-triazole-5-carboxamide
CAS Number: 1232800-16-6
Product Number: AG00J2GD(AGN-PC-0WB5XM)
Synonyms:
MDL No: MFCD17430383
Molecular Formula: C4H5ClN4O
Molecular Weight: 160.5617

Identification/Properties


Computed Properties
Molecular Weight:
160.561g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
160.015g/mol
Monoisotopic Mass:
160.015g/mol
Topological Polar Surface Area:
70.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
141
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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