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

• ChemBase ID: 287279
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c12cncn1CCNC2
• Canonical SMILES: N1CCn2c(C1)cnc2
• InChI: InChI=1S/C6H9N3/c1-2-9-5-8-4-6(9)3-7-1/h4-5,7H,1-3H2
• InChIKey: WROMFHICINADER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 5,6,7,8-Tetrahydroimidazo[1,5-a]pyrazine

Database IDs

• CAS Number: 297172-19-1
• MDL Number: MFCD09263955
• PubChem SID: 180672810
• PubChem CID: 20825705

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.76394
• LogD (pH = 7.4): -1.1590093
• Log P: -0.61472315
• Molar Refractivity: 35.066 cm^3
• Polarizability: 13.379042 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%