4-chloro-5-hydrazinyl-2-phenyl-2,3-dihydropyridazin-3-one

• ChemBase ID: 79281
• Molecular Formular: C10H9ClN4O
• Molecular Mass: 236.65766
• Monoisotopic Mass: 236.04648861
• SMILES: n1(c2ccccc2)c(=O)c(c(NN)cn1)Cl
• Canonical SMILES: NNc1cnn(c(=O)c1Cl)c1ccccc1
• InChI: InChI=1S/C10H9ClN4O/c11-9-8(14-12)6-13-15(10(9)16)7-4-2-1-3-5-7/h1-6,14H,12H2
• InChIKey: IQWBJSGIFJQBLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-hydrazinyl-2-phenyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 4-chloro-5-hydrazinyl-2-phenylpyridazin-3-one
• Synonyms: 4-chloro-5-hydrazino-2-phenyl-2,3-dihydropyridazin-3-one

Database IDs

• CAS Number: 1210-32-8
• MDL Number: MFCD00084955
• PubChem SID: 162044044
• PubChem CID: 250022

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.85942644
• LogD (pH = 7.4): 0.91995776
• Log P: 0.92078674
• Molar Refractivity: 74.0283 cm^3
• Polarizability: 23.086033 Å^3
• Polar Surface Area: 70.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true