5-(4-methoxyphenyl)-N-[5-(morpholin-4-yl)pentyl]-1,2,4-triazin-3-amine

• ChemBase ID: 768914
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: n1c(nncc1c1ccc(cc1)OC)NCCCCCN1CCOCC1
• Canonical SMILES: COc1ccc(cc1)c1cnnc(n1)NCCCCCN1CCOCC1
• InChI: InChI=1S/C19H27N5O2/c1-25-17-7-5-16(6-8-17)18-15-21-23-19(22-18)20-9-3-2-4-10-24-11-13-26-14-12-24/h5-8,15H,2-4,9-14H2,1H3,(H,20,22,23)
• InChIKey: IZQNTMGWRXIKFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-N-[5-(morpholin-4-yl)pentyl]-1,2,4-triazin-3-amine
• IUPAC Traditional name: 5-(4-methoxyphenyl)-N-[5-(morpholin-4-yl)pentyl]-1,2,4-triazin-3-amine
• Synonyms: 5-(4-methoxyphenyl)-N-[5-(4-morpholinyl)pentyl]-1,2,4-triazin-3-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.908643
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -0.2847244
• LogD (pH = 7.4): 1.4272043
• Log P: 1.9189693
• Molar Refractivity: 105.1574 cm^3
• Polarizability: 40.329124 Å^3
• Polar Surface Area: 72.4 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.06
• LOG S: -2.69
• Polar Surface Area: 72.4 Å^2
• Rotatable Bonds: 8