5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine

• ChemBase ID: 833542
• Molecular Formular: C11H8F3N3O
• Molecular Mass: 255.1959296
• Monoisotopic Mass: 255.06194655
• SMILES: C(Oc1ccc(c2ncc(nc2)N)cc1)(F)(F)F
• Canonical SMILES: FC(Oc1ccc(cc1)c1ncc(nc1)N)(F)F
• InChI: InChI=1S/C11H8F3N3O/c12-11(13,14)18-8-3-1-7(2-4-8)9-5-17-10(15)6-16-9/h1-6H,(H2,15,17)
• InChIKey: PNMJYKGMMIQWTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
• IUPAC Traditional name: 5-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
• Synonyms: 5-[4-(trifluoromethoxy)phenyl]-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7674904
• LogD (pH = 7.4): 2.7676182
• Log P: 2.7676198
• Molar Refractivity: 54.5926 cm^3
• Polarizability: 22.398209 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.93
• LOG S: -3.56
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3