4-chloro-5-(1-methylhydrazin-1-yl)-2-phenyl-2,3-dihydropyridazin-3-one

• ChemBase ID: 79260
• Molecular Formular: C11H11ClN4O
• Molecular Mass: 250.68424
• Monoisotopic Mass: 250.06213867
• SMILES: n1(c2ccccc2)c(=O)c(c(cn1)N(N)C)Cl
• Canonical SMILES: CN(c1cnn(c(=O)c1Cl)c1ccccc1)N
• InChI: InChI=1S/C11H11ClN4O/c1-15(13)9-7-14-16(11(17)10(9)12)8-5-3-2-4-6-8/h2-7H,13H2,1H3
• InChIKey: LBPXPSALZXBRGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5-(1-methylhydrazin-1-yl)-2-phenyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 4-chloro-5-(1-methylhydrazin-1-yl)-2-phenylpyridazin-3-one
• Synonyms: 4-chloro-5-(1-methylhydrazino)-2-phenyl-2,3-dihydropyridazin-3-one

Database IDs

• CAS Number: 41932-99-4
• MDL Number: MFCD00052034
• PubChem SID: 162044023
• PubChem CID: 376686

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7142229
• LogD (pH = 7.4): 0.86065423
• Log P: 0.8628808
• Molar Refractivity: 68.3101 cm^3
• Polarizability: 24.917597 Å^3
• Polar Surface Area: 61.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true