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

• ChemBase ID: 67154
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: c12CNCCn1ccn2
• Canonical SMILES: N1CCn2c(C1)ncc2
• InChI: InChI=1S/C6H9N3/c1-3-9-4-2-8-6(9)5-7-1/h2,4,7H,1,3,5H2
• InChIKey: SWBUHQQTIPEPMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-imidazo[1,2-a]pyrazine
• IUPAC Traditional name: 5H,6H,7H,8H-imidazo[1,2-a]pyrazine
• Synonyms: 5H,6H,7H,8H-imidazo[1,2-a]pyrazine; 5,6,7,8-Tetrahydroimidazo[1,2-a]pyrazine

Database IDs

• CAS Number: 91476-80-1
• MDL Number: MFCD09701264; MFCD09878589
• PubChem SID: 162032890
• PubChem CID: 13247046

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9415866
• LogD (pH = 7.4): -0.6277206
• Log P: -0.4615578
• Molar Refractivity: 34.5155 cm^3
• Polarizability: 13.379874 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.78

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%