5-Aminoimidazole-4-carboxamide

C4H6N4OCAS 360-97-4126.12 g/mol

Open in Covalent MOL file
H2NONNHH2N
Primary amine

Properties

Molecular formula
C4H6N4O
Molar mass
126.12 g/mol
Exact mass
126.0542 Da
Melting point
255–256 °C (decomposes)
logP
-0.12Crippen estimate
Polar surface area
98.8 Ų
H-bond donors / acceptors
4 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 54 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
360-97-4
SMILES
N=C(O)c1nc[nH]c1N
InChIKey
DVNYTAVYBRSTGK-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)

Weigh it out

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

Names and synonyms

15 names · show all
  • 1H-Imidazole-4-carboxamide, 5-amino-
  • Imidazole-4-carboxamide, 5-amino-
  • 5-Amino-1H-imidazole-4-carboxamide
  • AIC
  • 4-Aminoimidazole-5-carboxamide
  • AICA
  • Ba 2756
  • 4-Carboxamido-5-aminoimidazole
  • 4-Carbamoyl-5-aminoimidazole
  • 5-Amino-4-carbamoylimidazole
  • NSC 7784
  • 4-Amino-5-carbamoylimidazole
  • 5-Amino-1H-imidazole-4-carboxylic acid amide
  • 5-Amino-3H-imidazole-4-carboxamide
  • 4-Amino-1H-imidazole-5-carboxamide

Work with 5-Aminoimidazole-4-carboxamide

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.

Orazamide2574-78-9Salt 5-Aminoimidazole-4-carboxamide hydrochloride72-40-2Salt

Similar compounds

Pyrazine-2,3-dicarboxamide6164-78-947 % similar Imidazole-4,5-dicarboxylic acid570-22-939 % similar 4-Amino-5-cyanoimidazole5098-11-337 % similar 3-Hydroxypicolinamide933-90-437 % similar 5-Hydroxy-1H-imidazole-4-carboxamide56973-26-333 % similar 2-Pyridinecarboxamide1452-77-332 % similar Anthranilamide88-68-632 % similar Pyrazinamide98-96-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Diamino-6-hydroxypyrimidine1672-50-0 4-Hydroxy-6-hydrazinylpyrimidine29939-37-5 4,6-Diaminopyrimidin-2(1H)-one31458-45-4 6-Hydrazinyl-2(1H)-pyrimidinone3310-41-6 2-Aminoisocytosine56-06-4 2,4-Diaminopyrimidine 3-N-oxide74638-76-9

Elsewhere

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