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Home > Imidazoles > 77421-51-3
77421-51-3 | 1H-IMIDAZOLE-4-CARBOXAMIDE, 5-METHYL-
CAS No: 77421-51-3 Catalog No: AG005BDQ MDL No:
Product Description
Catalog Number:
AG005BDQ
Chemical Name:
1H-IMIDAZOLE-4-CARBOXAMIDE, 5-METHYL-
CAS Number:
77421-51-3
Molecular Formula:
C5H7N3O
Molecular Weight:
125.1286
IUPAC Name:
5-methyl-1H-imidazole-4-carboxamide
InChI:
InChI=1S/C5H7N3O/c1-3-4(5(6)9)8-2-7-3/h2H,1H3,(H2,6,9)(H,7,8)
InChI Key:
OBMQVZVVUYIGHX-UHFFFAOYSA-N
SMILES:
Cc1c(nc[nH]1)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:
2
Isotope Atom Count:
0
Molecular Weight:
125.131g/mol
Monoisotopic Mass:
125.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral evaluation of nucleosides of 5-methylimidazole-4-carboxamide. | Journal of medicinal chemistry 19850601 |
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