chempirical

5-Aminoimidazole-4-carboxamide hydrochloride

C4H7ClN4OCAS 72-40-2162.58 g/mol

Open in Covalent MOL file
HClH2NONNHH2N
Primary amine

Properties

Molecular formula
C4H7ClN4O
Molar mass
162.58 g/mol
Exact mass
162.0308 Da
Melting point
255–256 °C
logP
0.30Crippen estimate
Polar surface area
98.8 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
1

Identifiers

CAS number
72-40-2
SMILES
Cl.N=C(O)c1nc[nH]c1N
InChIKey
MXCUYSMIELHIQL-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N4O.ClH/c5-3-2(4(6)9)7-1-8-3;/h1H,5H2,(H2,6,9)(H,7,8);1H

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Names and synonyms

6 names
  • 1H-Imidazole-4-carboxamide, 5-amino-, hydrochloride (1:1)
  • Imidazole-4-carboxamide, 5-amino-, monohydrochloride
  • 1H-Imidazole-4-carboxamide, 5-amino-, monohydrochloride
  • 4-Aminoimidazole-5-carboxamide hydrochloride
  • 4-Amino-5-carbamoylimidazole hydrochloride
  • 5-Amino-1H-imidazole-4-carboxamide hydrochloride

Work with 5-Aminoimidazole-4-carboxamide hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Aminoimidazole-4-carboxamide360-97-490 % similar Orazamide2574-78-956 % similar 2,3-Pyrazinedicarboxamide6164-78-942 % similar Imidazole-4,5-dicarboxylic acid570-22-936 % similar 4-Amino-5-cyanoimidazole5098-11-334 % similar 3-Hydroxypicolinamide933-90-434 % similar (2S)-2-Amino-3-(1H-imidazol-4-yl)propanamide dihydrochloride71666-95-031 % similar Adenine hydrochloride2922-28-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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