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

• ChemBase ID: 287950
• Molecular Formular: C13H15N3
• Molecular Mass: 213.2783
• Monoisotopic Mass: 213.1265975
• SMILES: c12cncn1CCN(Cc1ccccc1)C2
• Canonical SMILES: c1ccc(cc1)CN1CCn2c(C1)cnc2
• InChI: InChI=1S/C13H15N3/c1-2-4-12(5-3-1)9-15-6-7-16-11-14-8-13(16)10-15/h1-5,8,11H,6-7,9-10H2
• InChIKey: LPAGGGGZFFUSJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 165894-09-7
• MDL Number: MFCD13152222
• PubChem SID: 180673481
• PubChem CID: 22335386

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7012613
• LogD (pH = 7.4): 1.1521273
• Log P: 1.492798
• Molar Refractivity: 64.9733 cm^3
• Polarizability: 24.82867 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%