chempirical

4-Amino-5-cyanoimidazole

C4H4N4CAS 5098-11-3108.10 g/mol

Open in Covalent MOL file
NNNHH2N
NitrilePrimary amine

Properties

Molecular formula
C4H4N4
Molar mass
108.10 g/mol
Exact mass
108.0436 Da
Melting point
128–129 °C (decomposes)
logP
-0.14Crippen estimate
Polar surface area
78.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
5098-11-3
SMILES
N#Cc1nc[nH]c1N
InChIKey
XEPBRDBFOSKYCF-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N4/c5-1-3-4(6)8-2-7-3/h2H,6H2,(H,7,8)

Weigh it out

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

Names and synonyms

10 names
  • 1H-Imidazole-4-carbonitrile, 5-amino-
  • Imidazole-4-carbonitrile, 5-amino-
  • Imidazole-4(or 5)-carbonitrile, 5(or 4)-amino-
  • 5-Amino-1H-imidazole-4-carbonitrile
  • 4-Aminoimidazole-5-carbonitrile
  • 4-Amino-1H-imidazole-5-carbonitrile
  • 5-Amino-4-cyanoimidazole
  • 5-Cyano-4-aminoimidazole
  • 5-Amino-4-imidazolecarbonitrile
  • NSC 139091

Work with 4-Amino-5-cyanoimidazole

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

4,5-Dicyanoimidazole1122-28-756 % similar 5-Aminoimidazole-4-carboxamide360-97-437 % similar 1H-Indazole-3-carbonitrile50264-88-536 % similar 1H-1,2,4-Triazole-5-carbonitrile3641-10-935 % similar 5-Amino-2-pyrimidinecarbonitrile56621-93-335 % similar 1H-Imidazole-5-carbonitrile57090-88-735 % similar 5-Aminoimidazole-4-carboxamide hydrochloride72-40-234 % similar Hexaazatriphenylenehexacabonitrile105598-27-433 % similar

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

Same formula

Diaminomaleonitrile1187-42-4 3-Amino-4-cyanopyrazole16617-46-2

Elsewhere

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