2-methyl-[1,2,4]triazolo[1,5-a]pyrazine

• ChemBase ID: 292273
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: Cc1nn2ccncc2n1
• Canonical SMILES: Cc1nn2c(n1)cncc2
• InChI: InChI=1S/C6H6N4/c1-5-8-6-4-7-2-3-10(6)9-5/h2-4H,1H3
• InChIKey: PRRJKUPWAKHCOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
• IUPAC Traditional name: 2-methyl-[1,2,4]triazolo[1,5-a]pyrazine
• Synonyms: 2-Methyl-[1,2,4]triazolo[1,5-a]pyrazine

Database IDs

• CAS Number: 20914-69-6
• PubChem SID: 180677804
• PubChem CID: 584093

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.56002146
• LogD (pH = 7.4): 0.5600267
• Log P: 0.56002676
• Molar Refractivity: 47.2192 cm^3
• Polarizability: 13.292213 Å^3
• Polar Surface Area: 43.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%