2,5-dimethyl-3-(piperazin-1-yl)pyrazine

• ChemBase ID: 306808
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: c1(nc(cnc1C)C)N1CCNCC1
• Canonical SMILES: Cc1ncc(nc1N1CCNCC1)C
• InChI: InChI=1S/C10H16N4/c1-8-7-12-9(2)10(13-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
• InChIKey: WFPZOAOJEXDUGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-3-(piperazin-1-yl)pyrazine
• IUPAC Traditional name: 2,5-dimethyl-3-(piperazin-1-yl)pyrazine
• Synonyms: 2,5-dimethyl-3-piperazin-1-ylpyrazine

Database IDs

• CAS Number: 59215-42-8
• MDL Number: MFCD05182224

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.9829538
• LogD (pH = 7.4): -1.4056123
• Log P: -0.03278567
• Molar Refractivity: 56.4247 cm^3
• Polarizability: 21.367105 Å^3
• Polar Surface Area: 41.05 Å^2