5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine

• ChemBase ID: 309389
• Molecular Formular: C6H9N3
• Molecular Mass: 123.15576
• Monoisotopic Mass: 123.0796473
• SMILES: n12c(nnc1)CCCC2
• Canonical SMILES: C1CCc2n(C1)cnn2
• InChI: InChI=1S/C6H9N3/c1-2-4-9-5-7-8-6(9)3-1/h5H,1-4H2
• InChIKey: MKOIWLVTFRQTJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine
• IUPAC Traditional name: 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine
• Synonyms: 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine

Database IDs

• CAS Number: 59624-08-7
• MDL Number: MFCD14702912

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.08829451
• LogD (pH = 7.4): -0.08737518
• Log P: -0.087363444
• Molar Refractivity: 36.0627 cm^3
• Polarizability: 12.75326 Å^3
• Polar Surface Area: 30.71 Å^2