imidazo[1,2-a]pyrazin-8-ol

• ChemBase ID: 273485
• Molecular Formular: C6H5N3O
• Molecular Mass: 135.1234
• Monoisotopic Mass: 135.0432618
• SMILES: c12n(ccn2)ccnc1O
• Canonical SMILES: Oc1nccn2c1ncc2
• InChI: InChI=1S/C6H5N3O/c10-6-5-7-1-3-9(5)4-2-8-6/h1-4H,(H,8,10)
• InChIKey: MCPSVGWMYIXRQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyrazin-8-ol
• IUPAC Traditional name: imidazo[1,2-a]pyrazin-8-ol
• Synonyms: imidazo[1,2-a]pyrazin-8-ol

Database IDs

• MDL Number: MFCD09834909
• PubChem SID: 164329395
• PubChem CID: 13008716

CALCULATED PROPERTIES

• Acid pKa: 10.266404
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.16809309
• LogD (pH = 7.4): -0.16782337
• Log P: -0.1672308
• Molar Refractivity: 36.0739 cm^3
• Polarizability: 13.044027 Å^3
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.839

Product Information

• Purity: 95%