3,5-dimethylpyrazin-2-ol

• ChemBase ID: 287696
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: Oc1ncc(C)nc1C
• Canonical SMILES: Cc1cnc(c(n1)C)O
• InChI: InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)
• InChIKey: AJYKJVCIKQEVCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylpyrazin-2-ol
• IUPAC Traditional name: 3,5-dimethylpyrazin-2-ol
• Synonyms: 3,5-Dimethylpyrazin-2-ol

Database IDs

• CAS Number: 60187-00-0
• PubChem SID: 180673227
• PubChem CID: 13123639

CALCULATED PROPERTIES

• Acid pKa: 12.0699
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.0913072
• LogD (pH = 7.4): 0.09152148
• Log P: 0.09153351
• Molar Refractivity: 33.2216 cm^3
• Polarizability: 12.6899605 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%