2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine

• ChemBase ID: 38375
• Molecular Formular: C7H8F3N3
• Molecular Mass: 191.1537296
• Monoisotopic Mass: 191.06703193
• SMILES: c12CNCCn1cc(n2)C(F)(F)F
• Canonical SMILES: FC(c1cn2c(n1)CNCC2)(F)F
• InChI: InChI=1S/C7H8F3N3/c8-7(9,10)5-4-13-2-1-11-3-6(13)12-5/h4,11H,1-3H2
• InChIKey: RHYZIHOBSWRZDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine
• IUPAC Traditional name: 2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine
• Synonyms: 2-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo-[1,2-a]pyrazine; 2-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 126069-70-3
• MDL Number: MFCD09834983
• PubChem SID: 161001682
• PubChem CID: 14719928

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.59028214
• LogD (pH = 7.4): 0.687444
• Log P: 0.802141
• Molar Refractivity: 40.1172 cm^3
• Polarizability: 14.708671 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%