6-chloro-N-(diphenylmethyl)pyridazin-3-amine

• ChemBase ID: 114534
• Molecular Formular: C17H14ClN3
• Molecular Mass: 295.76616
• Monoisotopic Mass: 295.08762514
• SMILES: n1nc(Cl)ccc1NC(c1ccccc1)c1ccccc1
• Canonical SMILES: Clc1ccc(nn1)NC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H14ClN3/c18-15-11-12-16(21-20-15)19-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,(H,19,21)
• InChIKey: GJUMDLHIVARGMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-(diphenylmethyl)pyridazin-3-amine
• IUPAC Traditional name: 6-chloro-N-(diphenylmethyl)pyridazin-3-amine
• Synonyms: 6-chloro-N-(diphenylmethyl)pyridazin-3-amine

Database IDs

• MDL Number: MFCD01530292
• PubChem SID: 162100618
• PubChem CID: 21236343

CALCULATED PROPERTIES

• Acid pKa: 15.2124605
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.175749
• LogD (pH = 7.4): 4.1759715
• Log P: 4.1759744
• Molar Refractivity: 89.0332 cm^3
• Polarizability: 32.644436 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 5.658

Product Information

• Purity: 95+%