imidazo[1,2-a]pyrazine-3-carbaldehyde

• ChemBase ID: 283960
• Molecular Formular: C7H5N3O
• Molecular Mass: 147.1341
• Monoisotopic Mass: 147.0432618
• SMILES: n12c(ncc1C=O)cncc2
• Canonical SMILES: O=Cc1cnc2n1ccnc2
• InChI: InChI=1S/C7H5N3O/c11-5-6-3-9-7-4-8-1-2-10(6)7/h1-5H
• InChIKey: FTYAMGYSJHEZQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyrazine-3-carbaldehyde
• IUPAC Traditional name: imidazo[1,2-a]pyrazine-3-carbaldehyde
• Synonyms: imidazo[1,2-a]pyrazine-3-carbaldehyde

Database IDs

• MDL Number: MFCD09027562
• PubChem SID: 180669491
• PubChem CID: 13634591

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.82574135
• LogD (pH = 7.4): -0.82562107
• Log P: -0.8256195
• Molar Refractivity: 40.241 cm^3
• Polarizability: 14.330034 Å^3
• Polar Surface Area: 47.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 180°C
• Hydrophobicity(logP): 0.202

Product Information

• Purity: 95%