3-hydrazinyl-4,5,6-triphenylpyridazine

• ChemBase ID: 83873
• Molecular Formular: C22H18N4
• Molecular Mass: 338.40512
• Monoisotopic Mass: 338.1531466
• SMILES: n1c(c(c(c(n1)NN)c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: NNc1nnc(c(c1c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H18N4/c23-24-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(25-26-22)18-14-8-3-9-15-18/h1-15H,23H2,(H,24,26)
• InChIKey: BJXMZLWEKTZSGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydrazinyl-4,5,6-triphenylpyridazine
• IUPAC Traditional name: 3-hydrazinyl-4,5,6-triphenylpyridazine
• Synonyms: 3-hydrazino-4,5,6-triphenylpyridazine

Database IDs

• MDL Number: MFCD00203628
• PubChem SID: 162070990
• PubChem CID: 2781048

CALCULATED PROPERTIES

• Acid pKa: 17.786993
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.515952
• LogD (pH = 7.4): 5.0745006
• Log P: 5.08943
• Molar Refractivity: 108.8212 cm^3
• Polarizability: 44.29732 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false