3-(1H-1,3-benzodiazol-2-yl)propanehydrazide

• ChemBase ID: 311211
• Molecular Formular: C10H12N4O
• Molecular Mass: 204.22848
• Monoisotopic Mass: 204.10111102
• SMILES: n1c([nH]c2c1cccc2)CCC(=O)NN
• Canonical SMILES: NNC(=O)CCc1nc2c([nH]1)cccc2
• InChI: InChI=1S/C10H12N4O/c11-14-10(15)6-5-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6,11H2,(H,12,13)(H,14,15)
• InChIKey: VYVKZESRBPHWIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1H-1,3-benzodiazol-2-yl)propanehydrazide
• IUPAC Traditional name: 3-(1H-1,3-benzodiazol-2-yl)propanehydrazide
• Synonyms: 3-(1H-benzimidazol-2-yl)propanohydrazide

Database IDs

• CAS Number: 143949-72-8
• MDL Number: MFCD01191985

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.13222489
• LogD (pH = 7.4): 0.09997814
• Log P: 0.10401317
• Molar Refractivity: 56.6088 cm^3
• Polarizability: 22.801762 Å^3
• Polar Surface Area: 83.8 Å^2