1,4-dimethyl-5-(tributylstannyl)-1H-1,2,3-triazole

• ChemBase ID: 814187
• Molecular Formular: C16H33N3Sn
• Molecular Mass: 386.15432
• Monoisotopic Mass: 387.16964207
• SMILES: n1(nnc(c1[Sn](CCCC)(CCCC)CCCC)C)C
• Canonical SMILES: CCCC[Sn](c1c(C)nnn1C)(CCCC)CCCC
• InChI: InChI=1S/C4H6N3.3C4H9.Sn/c1-4-3-7(2)6-5-4;3*1-3-4-2;/h1-2H3;3*1,3-4H2,2H3
• InChIKey: AMXAOAHRAINDHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethyl-5-(tributylstannyl)-1H-1,2,3-triazole
• IUPAC Traditional name: 1,4-dimethyl-5-(tributylstannyl)-1,2,3-triazole
• Synonyms: 1,4-dimethyl-5-(tributylstannyl)-1H-1,2,3-triazole

Database IDs

• CAS Number: 1047637-17-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8836873
• LogD (pH = 7.4): 2.8837
• Log P: 2.8837
• Molar Refractivity: 94.9952 cm^3
• Polarizability: 37.257404 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%