3-azido-4,5,6-triphenylpyridazine

• ChemBase ID: 83872
• Molecular Formular: C22H15N5
• Molecular Mass: 349.388
• Monoisotopic Mass: 349.13274551
• SMILES: n1c(c(c(c(n1)N=[N+]=[N-])c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: [N-]=[N+]=Nc1nnc(c(c1c1ccccc1)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H15N5/c23-27-26-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24-25-22)18-14-8-3-9-15-18/h1-15H
• InChIKey: CFDLRIACYKTAEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00203627
• PubChem SID: 162070989
• PubChem CID: 2781046

CALCULATED PROPERTIES

• Acid pKa: 4.287507
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 6.0115805
• LogD (pH = 7.4): 6.004212
• Log P: 6.118157
• Molar Refractivity: 109.4021 cm^3
• Polarizability: 43.87753 Å^3
• Polar Surface Area: 55.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false