2-methyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyrazine

• ChemBase ID: 286192
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: n1c2n(nc1C)CCNC2
• Canonical SMILES: Cc1nn2c(n1)CNCC2
• InChI: InChI=1S/C6H10N4/c1-5-8-6-4-7-2-3-10(6)9-5/h7H,2-4H2,1H3
• InChIKey: XJQLZEZGFIWRKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyrazine
• IUPAC Traditional name: 2-methyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyrazine
• Synonyms: 2-methyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrazine

Database IDs

• MDL Number: MFCD11044798
• PubChem SID: 180671723
• PubChem CID: 18406955

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4289918
• LogD (pH = 7.4): -0.36184615
• Log P: -0.29795858
• Molar Refractivity: 49.3659 cm^3
• Polarizability: 14.2707205 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.151

Product Information

• Purity: 95%