8-(tributylstannyl)-[1,2,4]triazolo[1,5-a]pyridine

• ChemBase ID: 65184
• Molecular Formular: C18H31N3Sn
• Molecular Mass: 408.15984
• Monoisotopic Mass: 409.15399201
• SMILES: c1ccn2c(c1[Sn](CCCC)(CCCC)CCCC)ncn2
• Canonical SMILES: CCCC[Sn](c1cccn2c1ncn2)(CCCC)CCCC
• InChI: InChI=1S/C6H4N3.3C4H9.Sn/c1-2-4-9-6(3-1)7-5-8-9;3*1-3-4-2;/h1-2,4-5H;3*1,3-4H2,2H3
• InChIKey: XDWNLVZJFSXJMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(tributylstannyl)-[1,2,4]triazolo[1,5-a]pyridine
• IUPAC Traditional name: 8-(tributylstannyl)-[1,2,4]triazolo[1,5-a]pyridine
• Synonyms: 8-Tributylstannyl[1,2,4]triazolo[1,5-a]pyridine

Database IDs

• CAS Number: 1245816-23-2
• MDL Number: MFCD17015012
• PubChem SID: 162030923
• PubChem CID: 46840014

CALCULATED PROPERTIES

• Molar Refractivity: 102.5837 cm^3
• Polarizability: 39.835377 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.464663
• LogD (pH = 7.4): 4.466181
• Log P: 4.4662

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%