1-(pyrazin-2-yl)propan-2-ol

• ChemBase ID: 57224
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1cnc(cn1)CC(C)O
• Canonical SMILES: CC(Cc1cnccn1)O
• InChI: InChI=1S/C7H10N2O/c1-6(10)4-7-5-8-2-3-9-7/h2-3,5-6,10H,4H2,1H3
• InChIKey: DQCMZEXRKHOUBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyrazin-2-yl)propan-2-ol
• IUPAC Traditional name: 1-(pyrazin-2-yl)propan-2-ol
• Synonyms: 1-Pyrazin-2-ylpropan-2-ol

Database IDs

• MDL Number: MFCD08572185
• PubChem SID: 162061987
• PubChem CID: 16640585

CALCULATED PROPERTIES

• Acid pKa: 15.319102
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.49440053
• LogD (pH = 7.4): -0.4943893
• Log P: -0.49438915
• Molar Refractivity: 37.1561 cm^3
• Polarizability: 14.606187 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false