2-methyl-6-(piperazin-1-yl)pyrazine

• ChemBase ID: 92426
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: n1c(cncc1C)N1CCNCC1
• Canonical SMILES: Cc1cncc(n1)N1CCNCC1
• InChI: InChI=1S/C9H14N4/c1-8-6-11-7-9(12-8)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3
• InChIKey: ZQAVHWZTBHGKFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(piperazin-1-yl)pyrazine
• IUPAC Traditional name: 2-methyl-6-(piperazin-1-yl)pyrazine
• Synonyms: 2-methyl-6-piperazin-1-ylpyrazine; 2-Methyl-6-piperazin-1-ylpyrazine 97%

Database IDs

• CAS Number: 51047-59-7
• MDL Number: MFCD08272850
• PubChem SID: 162079124
• PubChem CID: 20290698

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.1059158
• LogD (pH = 7.4): -1.5210005
• Log P: -0.16415584
• Molar Refractivity: 51.8332 cm^3
• Polarizability: 19.602516 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95%