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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Aminoimidazole-4-carboxamide360-97-4Free base Orazamide2574-78-9Salt

Similar compounds

Pyrazine-2,3-dicarboxamide6164-78-942 % similar Imidazole-4,5-dicarboxylic acid570-22-936 % similar 4-Amino-5-cyanoimidazole5098-11-334 % similar 3-Hydroxypicolinamide933-90-434 % similar H-His-NH2.2HCl71666-95-031 % similar Adenine hydrochloride2922-28-331 % similar 5-Hydroxy-1H-imidazole-4-carboxamide56973-26-331 % similar 2-Pyridinecarboxamide1452-77-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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