6-(trifluoromethyl)pyrazin-2-amine

• ChemBase ID: 802302
• Molecular Formular: C5H4F3N3
• Molecular Mass: 163.1005696
• Monoisotopic Mass: 163.0357318
• SMILES: c1c(nc(cn1)C(F)(F)F)N
• Canonical SMILES: FC(c1cncc(n1)N)(F)F
• InChI: InChI=1S/C5H4F3N3/c6-5(7,8)3-1-10-2-4(9)11-3/h1-2H,(H2,9,11)
• InChIKey: FMBKXKZEXQCCFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(trifluoromethyl)pyrazin-2-amine
• IUPAC Traditional name: 6-(trifluoromethyl)pyrazin-2-amine
• Synonyms: 6-(TRIFLUOROMETHYL)PYRAZIN-2-AMINE

Database IDs

• CAS Number: 69816-35-9

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 19.496042
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5671308
• LogD (pH = 7.4): 0.56713134
• Log P: 0.56713134
• Molar Refractivity: 32.3598 cm^3
• Polarizability: 11.162073 Å^3
• Polar Surface Area: 51.8 Å^2

PROPERTIES

Product Information

• Purity: 98%