[1,2,4]triazolo[4,3-a]pyrazin-5-amine

• ChemBase ID: 239014
• Molecular Formular: C5H5N5
• Molecular Mass: 135.1267
• Monoisotopic Mass: 135.05449519
• SMILES: n12c(nnc2)cncc1N
• Canonical SMILES: Nc1cncc2n1cnn2
• InChI: InChI=1S/C5H5N5/c6-4-1-7-2-5-9-8-3-10(4)5/h1-3H,6H2
• InChIKey: ONDLFWRSGZXYFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,4]triazolo[4,3-a]pyrazin-5-amine
• IUPAC Traditional name: [1,2,4]triazolo[4,3-a]pyrazin-5-amine
• Synonyms: [1,2,4]triazolo[4,3-a]pyrazin-5-amine

Database IDs

• MDL Number: MFCD22392039
• PubChem SID: 164294924
• PubChem CID: 71756308

CALCULATED PROPERTIES

• Polarizability: 12.716306 Å^3
• Polar Surface Area: 69.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.1584013
• LogD (pH = 7.4): -2.158212
• Log P: -2.1582096
• Molar Refractivity: 37.9494 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.556

Product Information

• Purity: 95%