N-cyclopropyl-6-(1H-indol-4-yl)pyridazin-3-amine

• ChemBase ID: 756005
• Molecular Formular: C15H14N4
• Molecular Mass: 250.29846
• Monoisotopic Mass: 250.12184647
• SMILES: c12c(c3nnc(NC4CC4)cc3)cccc1[nH]cc2
• Canonical SMILES: c1cc(c2ccc(nn2)NC2CC2)c2c(c1)[nH]cc2
• InChI: InChI=1S/C15H14N4/c1-2-11(12-8-9-16-13(12)3-1)14-6-7-15(19-18-14)17-10-4-5-10/h1-3,6-10,16H,4-5H2,(H,17,19)
• InChIKey: FGTKOHLHARCAKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-6-(1H-indol-4-yl)pyridazin-3-amine
• IUPAC Traditional name: N-cyclopropyl-6-(1H-indol-4-yl)pyridazin-3-amine
• Synonyms: N-cyclopropyl-6-(1H-indol-4-yl)pyridazin-3-amine

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 2.4403641
• Log P: 2.4404414
• Molar Refractivity: 77.3336 cm^3
• Polarizability: 30.730623 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 16.129843
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.43435

供应商提供(Chembridge)

• Log P: 2.67
• LOG S: -3.3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 2