2-methyl-1-{[1,2,4]triazolo[4,3-a]pyrazin-8-yl}piperazine

• ChemBase ID: 240892
• Molecular Formular: C10H14N6
• Molecular Mass: 218.25836
• Monoisotopic Mass: 218.12799448
• SMILES: c12c(N3C(CNCC3)C)nccn1cnn2
• Canonical SMILES: CC1CNCCN1c1nccn2c1nnc2
• InChI: InChI=1S/C10H14N6/c1-8-6-11-2-5-16(8)9-10-14-13-7-15(10)4-3-12-9/h3-4,7-8,11H,2,5-6H2,1H3
• InChIKey: WWTFYKCTCDKRFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-{[1,2,4]triazolo[4,3-a]pyrazin-8-yl}piperazine
• IUPAC Traditional name: 2-methyl-1-{[1,2,4]triazolo[4,3-a]pyrazin-8-yl}piperazine
• Synonyms: 2-methyl-1-{[1,2,4]triazolo[4,3-a]pyrazin-8-yl}piperazine

Database IDs

• MDL Number: MFCD20304182
• PubChem SID: 164296802
• PubChem CID: 64368796

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.811802
• LogD (pH = 7.4): -2.260693
• Log P: -0.8354266
• Molar Refractivity: 63.912 cm^3
• Polarizability: 22.680029 Å^3
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.141

Product Information

• Purity: 95%