N-cyclopropyl-6-[3-(propan-2-yloxy)phenyl]pyridazin-3-amine

• ChemBase ID: 857577
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: n1nc(NC2CC2)ccc1c1cc(OC(C)C)ccc1
• Canonical SMILES: CC(Oc1cccc(c1)c1ccc(nn1)NC1CC1)C
• InChI: InChI=1S/C16H19N3O/c1-11(2)20-14-5-3-4-12(10-14)15-8-9-16(19-18-15)17-13-6-7-13/h3-5,8-11,13H,6-7H2,1-2H3,(H,17,19)
• InChIKey: DYKGXOOSDOLDNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-6-[3-(propan-2-yloxy)phenyl]pyridazin-3-amine
• IUPAC Traditional name: N-cyclopropyl-6-(3-isopropoxyphenyl)pyridazin-3-amine
• Synonyms: N-cyclopropyl-6-(3-isopropoxyphenyl)pyridazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.586338
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9502401
• LogD (pH = 7.4): 2.9573002
• Log P: 2.957391
• Molar Refractivity: 81.8777 cm^3
• Polarizability: 31.653633 Å^3
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.93
• LOG S: -3.67
• Polar Surface Area: 47.04 Å^2
• Rotatable Bonds: 5