6-(6-aminopyridin-3-yl)-N-cyclopentylpyridazin-3-amine

• ChemBase ID: 849480
• Molecular Formular: C14H17N5
• Molecular Mass: 255.31828
• Monoisotopic Mass: 255.14839557
• SMILES: n1nc(NC2CCCC2)ccc1c1cnc(N)cc1
• Canonical SMILES: Nc1ccc(cn1)c1ccc(nn1)NC1CCCC1
• InChI: InChI=1S/C14H17N5/c15-13-7-5-10(9-16-13)12-6-8-14(19-18-12)17-11-3-1-2-4-11/h5-9,11H,1-4H2,(H2,15,16)(H,17,19)
• InChIKey: MDEFWRNUXSRDAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(6-aminopyridin-3-yl)-N-cyclopentylpyridazin-3-amine
• IUPAC Traditional name: 6-(6-aminopyridin-3-yl)-N-cyclopentylpyridazin-3-amine
• Synonyms: 6-(6-aminopyridin-3-yl)-N-cyclopentylpyridazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.585867
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.2885216
• LogD (pH = 7.4): 1.7667103
• Log P: 1.7786758
• Molar Refractivity: 78.3061 cm^3
• Polarizability: 29.361723 Å^3
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.09
• LOG S: -2.85
• Polar Surface Area: 76.72 Å^2
• Rotatable Bonds: 3