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125815-68-1 | 1H-Imidazole-5-carboxamide, 2-amino-4-cyano-
CAS No: 125815-68-1 Catalog No: AG000OS9 MDL No:
Product Description
Catalog Number:
AG000OS9
Chemical Name:
1H-Imidazole-5-carboxamide, 2-amino-4-cyano-
CAS Number:
125815-68-1
Molecular Formula:
C5H5N5O
Molecular Weight:
151.1261
IUPAC Name:
2-amino-4-cyano-1H-imidazole-5-carboxamide
InChI:
InChI=1S/C5H5N5O/c6-1-2-3(4(7)11)10-5(8)9-2/h(H2,7,11)(H3,8,9,10)
InChI Key:
CPCUWIMIPGRPBE-UHFFFAOYSA-N
SMILES:
N#Cc1nc([nH]c1C(=O)N)N
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
151.129g/mol
Monoisotopic Mass:
151.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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