chempirical

PluriSIn 1

C12H11N3OCAS 91396-88-2213.24 g/mol

Open in Covalent MOL file
NHHNON
AmideSecondary amine

Properties

Molecular formula
C12H11N3O
Molar mass
213.24 g/mol
Exact mass
213.0902 Da
logP
1.84Crippen estimate
Polar surface area
54.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
91396-88-2
SMILES
C1=CC=C(C=C1)NNC(=O)C2=CC=NC=C2
InChIKey
HUDWXDLBWRHCKO-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h1-9,14H,(H,15,16)

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Names and synonyms

1 names
  • Plurisln 1

Work with PluriSIn 1

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

Isoniazid54-85-350 % similar 4-Benzoylpyridine14548-46-048 % similar Salicylaldehyde isonicotinoylhydrazone495-84-141 % similar Inabenfide82211-24-340 % similar Isonicotinamide1453-82-338 % similar Hydrazobenzene122-66-738 % similar 1-Phenylsemicarbazide103-03-738 % similar Phenylthiosemicarbazide645-48-738 % similar

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

Elsewhere

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