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1488-96-6 | 1H-1,2,4-Triazole-1-carboxamide, 5-amino-N-methyl-
CAS No: 1488-96-6 Catalog No: AG001L86 MDL No:
Product Description
Catalog Number:
AG001L86
Chemical Name:
1H-1,2,4-Triazole-1-carboxamide, 5-amino-N-methyl-
CAS Number:
1488-96-6
Molecular Formula:
C4H7N5O
Molecular Weight:
141.1313
IUPAC Name:
5-amino-N-methyl-1,2,4-triazole-1-carboxamide
InChI:
InChI=1S/C4H7N5O/c1-6-4(10)9-3(5)7-2-8-9/h2H,1H3,(H,6,10)(H2,5,7,8)
InChI Key:
AKXSLZTTZLVFLZ-UHFFFAOYSA-N
SMILES:
CNC(=O)n1ncnc1N
NSC Number:
140296
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.065g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.134g/mol
Monoisotopic Mass:
141.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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