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5334-31-6 | 3-Amino-1H-Pyrazole-4-Carboxamide
CAS No: 5334-31-6 Catalog No: AG0033KL MDL No:MFCD00082808
Product Description
Catalog Number:
AG0033KL
Chemical Name:
3-Amino-1H-Pyrazole-4-Carboxamide
CAS Number:
5334-31-6
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
MDL Number:
MFCD00082808
IUPAC Name:
5-amino-1H-pyrazole-4-carboxamide
InChI:
InChI=1S/C4H6N4O/c5-3-2(4(6)9)1-7-8-3/h1H,(H2,6,9)(H3,5,7,8)
InChI Key:
LEFSNWUSTYESGC-UHFFFAOYSA-N
SMILES:
NC(=O)c1c[nH]nc1N
EC Number:
226-252-3
UNII:
G43E3B7590
NSC Number:
1402
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.054g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
126.119g/mol
Monoisotopic Mass:
126.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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