3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine

• ChemBase ID: 123189
• Molecular Formular: C11H14N4
• Molecular Mass: 202.25566
• Monoisotopic Mass: 202.12184647
• SMILES: n12c(nnc1cccc2)C1CNCCC1
• Canonical SMILES: C1CCC(CN1)c1nnc2n1cccc2
• InChI: InChI=1S/C11H14N4/c1-2-7-15-10(5-1)13-14-11(15)9-4-3-6-12-8-9/h1-2,5,7,9,12H,3-4,6,8H2
• InChIKey: ZWXUXOSRVISZHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
• IUPAC Traditional name: 3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}piperidine
• Synonyms: 3-(piperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine; 3-(3-piperidinyl)[1,2,4]triazolo[4,3-a]pyridine

Database IDs

• CAS Number: 889943-47-9
• MDL Number: MFCD08166724
• PubChem SID: 162217542
• PubChem CID: 16226853

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0083363
• LogD (pH = 7.4): -2.0146518
• Log P: 0.18164784
• Molar Refractivity: 60.8709 cm^3
• Polarizability: 22.328703 Å^3
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true