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

• ChemBase ID: 581736
• Molecular Formular: C11H8F3N3
• Molecular Mass: 239.1965296
• Monoisotopic Mass: 239.06703193
• SMILES: C(c1ccc(c2ncc(nc2)N)cc1)(F)(F)F
• Canonical SMILES: Nc1cnc(cn1)c1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-7(2-4-8)9-5-17-10(15)6-16-9/h1-6H,(H2,15,17)
• InChIKey: PZCWBZARKLQZDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.21423
• LogD (pH = 7.4): 2.2143552
• Log P: 2.2143567
• Molar Refractivity: 57.496 cm^3
• Polarizability: 21.637403 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.67
• LOG S: -3.23
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2