6-{1-[2-(piperidin-2-yl)ethyl]-1H-1,2,3-triazole-4-carbonyl}-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 720130
• Molecular Formular: C18H24N6O
• Molecular Mass: 340.42276
• Monoisotopic Mass: 340.20115942
• SMILES: c1(nnn(c1)CCC1NCCCC1)C(=O)N1Cc2c(CC1)nccc2
• Canonical SMILES: O=C(c1nnn(c1)CCC1CCCCN1)N1CCc2c(C1)cccn2
• InChI: InChI=1S/C18H24N6O/c25-18(23-10-7-16-14(12-23)4-3-9-20-16)17-13-24(22-21-17)11-6-15-5-1-2-8-19-15/h3-4,9,13,15,19H,1-2,5-8,10-12H2
• InChIKey: RPXHYUYTBLVHER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{1-[2-(piperidin-2-yl)ethyl]-1H-1,2,3-triazole-4-carbonyl}-5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 6-{1-[2-(piperidin-2-yl)ethyl]-1,2,3-triazole-4-carbonyl}-7,8-dihydro-5H-1,6-naphthyridine
• Synonyms: 6-{[1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-5,6,7,8-tetrahydro-1,6-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.369591
• LogD (pH = 7.4): -1.9314218
• Log P: 0.88627493
• Molar Refractivity: 106.4077 cm^3
• Polarizability: 36.209274 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.81
• LOG S: -1.0
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 4