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

• ChemBase ID: 64713
• Molecular Formular: C11H17N3O2
• Molecular Mass: 223.27158
• Monoisotopic Mass: 223.1320768
• SMILES: C(=O)(N1Cc2n(ccn2)CC1)OC(C)(C)C
• Canonical SMILES: O=C(N1CCn2c(C1)ncc2)OC(C)(C)C
• InChI: InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-7-6-13-5-4-12-9(13)8-14/h4-5H,6-8H2,1-3H3
• InChIKey: WDHIKONIOJKMIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-7-carboxylate
• IUPAC Traditional name: tert-butyl 5H,6H,8H-imidazo[1,2-a]pyrazine-7-carboxylate
• Synonyms: tert-Butyl 5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-carboxylate

Database IDs

• CAS Number: 345311-03-7
• MDL Number: MFCD09878590
• PubChem SID: 162030452
• PubChem CID: 21955306

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.29497054
• LogD (pH = 7.4): 0.8054895
• Log P: 0.82163525
• Molar Refractivity: 59.5106 cm^3
• Polarizability: 23.072514 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%