3-hydrazinyl-6-(4-methoxyphenyl)pyridazine

• ChemBase ID: 28612
• Molecular Formular: C11H12N4O
• Molecular Mass: 216.23918
• Monoisotopic Mass: 216.10111102
• SMILES: n1nc(NN)ccc1c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1ccc(nn1)NN
• InChI: InChI=1S/C11H12N4O/c1-16-9-4-2-8(3-5-9)10-6-7-11(13-12)15-14-10/h2-7H,12H2,1H3,(H,13,15)
• InChIKey: ASGDUFOXUMFAMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-6-(4-methoxyphenyl)pyridazine
• IUPAC Traditional name: 3-hydrazinyl-6-(4-methoxyphenyl)pyridazine
• Synonyms: 3-Hydrazino-6-(4-methoxyphenyl)pyridazine

Database IDs

• MDL Number: MFCD07389030
• PubChem SID: 160991919
• PubChem CID: 15743872

CALCULATED PROPERTIES

• Acid pKa: 18.56777
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3331108
• LogD (pH = 7.4): 1.631757
• Log P: 1.637308
• Molar Refractivity: 65.012 cm^3
• Polarizability: 24.57777 Å^3
• Polar Surface Area: 73.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false