5-(5-methylfuran-2-yl)-3-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-1,2,4-triazine

• ChemBase ID: 405178
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: c1(nc(c2oc(cc2)C)cnn1)N1CC(OCc2ncccc2)CCC1
• Canonical SMILES: Cc1ccc(o1)c1cnnc(n1)N1CCCC(C1)OCc1ccccn1
• InChI: InChI=1S/C19H21N5O2/c1-14-7-8-18(26-14)17-11-21-23-19(22-17)24-10-4-6-16(12-24)25-13-15-5-2-3-9-20-15/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3
• InChIKey: IWAKXNYZPULKHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-methylfuran-2-yl)-3-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
• IUPAC Traditional name: 5-(5-methylfuran-2-yl)-3-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
• Synonyms: 5-(5-methyl-2-furyl)-3-[3-(2-pyridinylmethoxy)-1-piperidinyl]-1,2,4-triazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.1483958
• LogD (pH = 7.4): 2.1564372
• Log P: 2.1565406
• Molar Refractivity: 99.4532 cm^3
• Polarizability: 38.095234 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.64
• LOG S: -4.72
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 5