5-Hydroxy-1H-imidazole-4-carboxamide

C4H5N3O2CAS 56973-26-3127.10 g/mol

Open in Covalent MOL file
H2NONNHHO
AmidePhenol

Properties

Molecular formula
C4H5N3O2
Molar mass
127.10 g/mol
Exact mass
127.0382 Da
Melting point
260 °C
logP
-0.79Crippen estimate
Polar surface area
92.0 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
56973-26-3
SMILES
NC(=O)c1nc[nH]c1O
InChIKey
UEWSIIBPZOBMBL-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3O2/c5-3(8)2-4(9)7-1-6-2/h1,9H,(H2,5,8)(H,6,7)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Imidazole-4-carboxamide, 5-hydroxy-
  • Bredinin aglycone
  • 4-Carbamoyl-5-hydroxyimidazole
  • 5-Hydroxyimidazole 4-carboxamide
  • SM 108
  • SM 108 (antitumor agent)
  • NSC 266026

Work with 5-Hydroxy-1H-imidazole-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

Similar compounds

Dacarbazine4342-03-448 % similar 3-Hydroxypyrazine-2-carboxamide55321-99-843 % similar 4-Cyano-1H-imidazole-5-carboxamide5372-23-642 % similar Pyrazine-2,3-dicarboxylic acid monoamide67367-37-742 % similar Favipiravir259793-96-941 % similar Imidazole-4,5-dicarboxylic acid570-22-939 % similar 6-Bromo-3-hydroxypyrazine-2-carboxamide259793-88-938 % similar 2H-1,2,4-Triazole-3-carboxamide3641-08-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methyl-4-nitroimidazole14003-66-8 N-(Aminocarbonyl)-2-cyanoacetamide1448-98-2 1,2,4-Triazole-1-acetic acid28711-29-7 1-Methyl-4-nitroimidazole3034-41-1 1-Methyl-4-nitro-1H-pyrazole3994-50-1 3-Amino-1H-pyrazole-4-carboxylic acid41680-34-6 Methyl 1H-1,2,4-triazole-5-carboxylate4928-88-5 Methyl 1,2,3-triazole-4-carboxylate4967-77-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook