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

• ChemBase ID: 128421
• Molecular Formular: C8H11ClN4
• Molecular Mass: 198.65274
• Monoisotopic Mass: 198.06722405
• SMILES: Clc1nc(cnc1)N1CCNCC1
• Canonical SMILES: Clc1cncc(n1)N1CCNCC1
• InChI: InChI=1S/C8H11ClN4/c9-7-5-11-6-8(12-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
• InChIKey: CJAWPFJGFFNXQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(piperazin-1-yl)pyrazine
• IUPAC Traditional name: 2-chloro-6-(piperazin-1-yl)pyrazine
• Synonyms: CPP; MK-212; 2-CHLORO-6-(1-PIPERAZINYL)PYRAZINE

Database IDs

• CAS Number: 64022-27-1
• PubChem SID: 162222728
• PubChem CID: 107992
• Chemspider ID: 97104
• Wikipedia Title: MK-212

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.404647
• LogD (pH = 7.4): -0.8124255
• Log P: 0.5286958
• Molar Refractivity: 53.1078 cm^3
• Polarizability: 19.816515 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%