ethyl imidazo[1,2-a]pyrazine-2-carboxylate

• ChemBase ID: 52865
• Molecular Formular: C9H9N3O2
• Molecular Mass: 191.18666
• Monoisotopic Mass: 191.06947654
• SMILES: c1cn2c(cn1)nc(c2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)cncc2
• InChI: InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7/h3-6H,2H2,1H3
• InChIKey: SWABYVXORFBBAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl imidazo[1,2-a]pyrazine-2-carboxylate
• IUPAC Traditional name: ethyl imidazo[1,2-a]pyrazine-2-carboxylate
• Synonyms: Ethyl imidazo[1,2-a]pyrazine-2-carboxylate

Database IDs

• CAS Number: 77112-52-8
• MDL Number: MFCD08460079
• PubChem SID: 162057628
• PubChem CID: 11845418

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.08800065
• LogD (pH = 7.4): 0.0880121
• Log P: 0.08801224
• Molar Refractivity: 50.1814 cm^3
• Polarizability: 18.718285 Å^3
• Polar Surface Area: 56.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%