5-[3-(benzyloxy)phenyl]pyrazin-2-amine

• ChemBase ID: 692987
• Molecular Formular: C17H15N3O
• Molecular Mass: 277.3205
• Monoisotopic Mass: 277.12151212
• SMILES: n1c(c2cc(OCc3ccccc3)ccc2)cnc(c1)N
• Canonical SMILES: Nc1cnc(cn1)c1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C17H15N3O/c18-17-11-19-16(10-20-17)14-7-4-8-15(9-14)21-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,18,20)
• InChIKey: QYAZWTLPZCAVHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(benzyloxy)phenyl]pyrazin-2-amine
• IUPAC Traditional name: 5-[3-(benzyloxy)phenyl]pyrazin-2-amine
• Synonyms: 5-[3-(benzyloxy)phenyl]pyrazin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9031882
• LogD (pH = 7.4): 2.9033086
• Log P: 2.90331
• Molar Refractivity: 82.5981 cm^3
• Polarizability: 32.78178 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.59
• LOG S: -4.29
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 4