1-Cyano-3-phenylurea

C8H7N3OCAS 41834-91-7161.16 g/mol

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NHOHNN
NitrileUrea

Properties

Molecular formula
C8H7N3O
Molar mass
161.16 g/mol
Exact mass
161.0589 Da
logP
1.29Crippen estimate
Polar surface area
64.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
41834-91-7
SMILES
C1=CC=C(C=C1)NC(=O)NC#N
InChIKey
ZKPYMLIAAZXJGP-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N3O/c9-6-10-8(12)11-7-4-2-1-3-5-7/h1-5H,(H2,10,11,12)

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Names and synonyms

5 names
  • Urea, N-cyano-N'-phenyl-
  • 3-Phenyl-1-ureidonitrile
  • N-Cyano-N'-phenylurea
  • 3-Cyano-1-phenylurea
  • N-Cyano-N'-phenyl urea

Reactions

Work with 1-Cyano-3-phenylurea

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

Oxanilide620-81-548 % similar Diphenylguanidine102-06-739 % similar Benzil134-81-638 % similar t-Butyl carbanilate3422-01-337 % similar 1,4-Bis(phenylglyoxaloyl)benzene3363-97-137 % similar Benzoyl cyanide613-90-136 % similar 1-Phenyl-2-thiobiuret53555-72-936 % similar N,N′,N′′-Triphenylguanidine101-01-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-5-phenyl-1,3,4-oxadiazole1612-76-6 1-Phenyl-3-hydroxy-1,2,4-triazole4231-68-9 4-(1,2,4-Triazol-1-yl)phenol68337-15-5

Elsewhere

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