imidazo[1,2-a]pyrazine-2-carbaldehyde

• ChemBase ID: 52864
• Molecular Formular: C7H5N3O
• Molecular Mass: 147.1341
• Monoisotopic Mass: 147.0432618
• SMILES: c1cn2c(cn1)nc(c2)C=O
• Canonical SMILES: O=Cc1cn2c(n1)cncc2
• InChI: InChI=1S/C7H5N3O/c11-5-6-4-10-2-1-8-3-7(10)9-6/h1-5H
• InChIKey: YJBCAVPRXDSHGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyrazine-2-carbaldehyde
• IUPAC Traditional name: imidazo[1,2-a]pyrazine-2-carbaldehyde
• Synonyms: Imidazo[1,2-a]pyrazine-2-carbaldehyde

Database IDs

• CAS Number: 1017782-15-8
• MDL Number: MFCD09995736
• PubChem SID: 162057627
• PubChem CID: 49757969

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.07114621
• LogD (pH = 7.4): -0.07107841
• Log P: -0.07107755
• Molar Refractivity: 39.9783 cm^3
• Polarizability: 14.331015 Å^3
• Polar Surface Area: 47.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.202

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%