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1489-02-7 | 1H-1,2,4-Triazole-1-carboxamide, 5-amino-
CAS No: 1489-02-7 Catalog No: AG001L9P MDL No:
Product Description
Catalog Number:
AG001L9P
Chemical Name:
1H-1,2,4-Triazole-1-carboxamide, 5-amino-
CAS Number:
1489-02-7
Molecular Formula:
C3H5N5O
Molecular Weight:
127.1047
IUPAC Name:
5-amino-1,2,4-triazole-1-carboxamide
InChI:
InChI=1S/C3H5N5O/c4-2-6-1-7-8(2)3(5)9/h1H,(H2,5,9)(H2,4,6,7)
InChI Key:
RFLFAIIYFWQKPZ-UHFFFAOYSA-N
SMILES:
NC(=O)n1ncnc1N
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.049g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
127.107g/mol
Monoisotopic Mass:
127.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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