ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate

• ChemBase ID: 64599
• Molecular Formular: C9H13N3O2
• Molecular Mass: 195.21842
• Monoisotopic Mass: 195.10077667
• SMILES: c1(nc2n(c1)CCNC2)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C9H13N3O2/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7/h6,10H,2-5H2,1H3
• InChIKey: YTYJZXFCWYHVPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate
• IUPAC Traditional name: ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate
• Synonyms: Ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate

Database IDs

• CAS Number: 623906-17-2
• MDL Number: MFCD08059257
• PubChem SID: 162030338
• PubChem CID: 11845780

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2659475
• LogD (pH = 7.4): -0.0202246
• Log P: 0.08457744
• Molar Refractivity: 50.9174 cm^3
• Polarizability: 19.691925 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%