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

• ChemBase ID: 275252
• Molecular Formular: C9H14N4O
• Molecular Mass: 194.23366
• Monoisotopic Mass: 194.11676109
• SMILES: n1c(N2CCNCC2)cncc1OC
• Canonical SMILES: COc1cncc(n1)N1CCNCC1
• InChI: InChI=1S/C9H14N4O/c1-14-9-7-11-6-8(12-9)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3
• InChIKey: VSARXIPDRASTTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-(piperazin-1-yl)pyrazine
• IUPAC Traditional name: 2-methoxy-6-(piperazin-1-yl)pyrazine
• Synonyms: 2-methoxy-6-(piperazin-1-yl)pyrazine

Database IDs

• MDL Number: MFCD18917303
• PubChem SID: 164331162
• PubChem CID: 13318698

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7924314
• LogD (pH = 7.4): -1.2004987
• Log P: 0.14126025
• Molar Refractivity: 54.0184 cm^3
• Polarizability: 20.375355 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.817

Product Information

• Purity: 95%