({4-cyclopropyl-5-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)dimethylamine

• ChemBase ID: 563522
• Molecular Formular: C19H28N6
• Molecular Mass: 340.46582
• Monoisotopic Mass: 340.23754493
• SMILES: n1(c(nnc1C1CCN(c2cc(ncc2)C)CC1)CN(C)C)C1CC1
• Canonical SMILES: CN(Cc1nnc(n1C1CC1)C1CCN(CC1)c1ccnc(c1)C)C
• InChI: InChI=1S/C19H28N6/c1-14-12-17(6-9-20-14)24-10-7-15(8-11-24)19-22-21-18(13-23(2)3)25(19)16-4-5-16/h6,9,12,15-16H,4-5,7-8,10-11,13H2,1-3H3
• InChIKey: ONTTZGYYXSWDJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({4-cyclopropyl-5-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)dimethylamine
• IUPAC Traditional name: ({4-cyclopropyl-5-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl}methyl)dimethylamine
• Synonyms: ({4-cyclopropyl-5-[1-(2-methylpyridin-4-yl)piperidin-4-yl]-4H-1,2,4-triazol-3-yl}methyl)dimethylamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.5273783
• LogD (pH = 7.4): -0.3007856
• Log P: 1.0126364
• Molar Refractivity: 102.3067 cm^3
• Polarizability: 38.023277 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.11
• LOG S: -1.62
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5