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Home > Imidazoles > 129993-47-1
129993-47-1 | 1H-Imidazole-4-carboxamide, 1-methyl-
CAS No: 129993-47-1 Catalog No: AG000TUH MDL No:MFCD11054183
Product Description
Catalog Number:
AG000TUH
Chemical Name:
1H-Imidazole-4-carboxamide, 1-methyl-
CAS Number:
129993-47-1
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
MDL Number:
MFCD11054183
IUPAC Name:
1-methylimidazole-4-carboxamide
InChI:
InChI=1S/C5H7N3O/c1-8-2-4(5(6)9)7-3-8/h2-3H,1H3,(H2,6,9)
InChI Key:
AWDCMXSTPBEJMX-UHFFFAOYSA-N
SMILES:
Cn1cc(nc1)C(=O)N
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.059g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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