chempirical

N-(Aminocarbonyl)-2-cyanoacetamide

C4H5N3O2CAS 1448-98-2127.10 g/mol

Open in Covalent MOL file
NONHNH2O
Nitrile

Properties

Molecular formula
C4H5N3O2
Molar mass
127.10 g/mol
Exact mass
127.0382 Da
Melting point
161 °C
logP
0.35Crippen estimate
Polar surface area
100.5 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
1448-98-2
SMILES
N#CCC(O)=NC(=N)O
InChIKey
QJGRPCPCQQPZLZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)

Weigh it out

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

Names and synonyms

7 names
  • Acetamide, N-(aminocarbonyl)-2-cyano-
  • Urea, (cyanoacetyl)-
  • (Cyanoacetyl)urea
  • (2-Cyanoethanoyl)urea
  • NSC 6287
  • N-Carbamoyl-2-cyanoacetamide
  • (2-Cyanoacetyl)urea

Work with N-(Aminocarbonyl)-2-cyanoacetamide

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

Cyanoacetic acid hydrazide140-87-450 % similar Cyanoacetamide107-91-545 % similar Ethyl N-(2-cyanoacetyl)carbamate6629-04-545 % similar Cyanoacetic acid372-09-835 % similar Acetylurea591-07-135 % similar Cyanothioacetamide7357-70-235 % similar 2-Cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide846023-24-335 % similar Azodicarbonamide123-77-333 % similar

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

Same formula

5-Methyl-4-nitroimidazole14003-66-8 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 3-Methyl-4-nitro-1H-pyrazole5334-39-4 2-Amino-6-hydroxy-4(3H)-pyrimidinone56-09-7 5-Hydroxy-1H-imidazole-4-carboxamide56973-26-3

Elsewhere

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