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

• ChemBase ID: 247484
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: n1c2n(cc1C)CCNC2
• Canonical SMILES: Cc1cn2c(n1)CNCC2
• InChI: InChI=1S/C7H11N3/c1-6-5-10-3-2-8-4-7(10)9-6/h5,8H,2-4H2,1H3
• InChIKey: VJISEYLRRDUZHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17270609
• PubChem SID: 164303394
• PubChem CID: 14719924

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9123373
• LogD (pH = 7.4): -0.5064953
• Log P: -0.33018765
• Molar Refractivity: 39.107 cm^3
• Polarizability: 15.14442 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100 - 102°C
• Hydrophobicity(logP): -0.511

Product Information

• Purity: 95%