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

• ChemBase ID: 289744
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: Cc1ncc2CNCCn12
• Canonical SMILES: Cc1ncc2n1CCNC2
• InChI: InChI=1S/C7H11N3/c1-6-9-5-7-4-8-2-3-10(6)7/h5,8H,2-4H2,1H3
• InChIKey: GMMYNKQIGMWPCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 3-Methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

Database IDs

• CAS Number: 734531-00-1
• PubChem SID: 180675275
• PubChem CID: 20825880

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0362325
• LogD (pH = 7.4): -1.1077191
• Log P: -0.4916584
• Molar Refractivity: 39.5067 cm^3
• Polarizability: 15.142274 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%