tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane

C20H33FN4Sn — CID 58926474

IUPACtributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccc(F)nc2)c1C
InChIInChI=1S/C8H6FN4.3C4H9.Sn/c1-6-4-11-12-13(6)7-2-3-8(9)10-5-7;3*1-3-4-2;/h2-3,5H,1H3;3*1,3-4H2,2H3;
InChIKeyBQSWBSNGRMDWCY-UHFFFAOYSA-N
MW467.22 g/mol
LogP5.17
Rot. Bonds11

About tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane

tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane (PubChem CID 58926474) has the molecular formula C20H33FN4Sn and a molecular weight of 467.22 g/mol. Its IUPAC name is tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane
PubChem CID58926474
Molecular FormulaC20H33FN4Sn
Molecular Weight467.22 g/mol
Exact Mass468.17
IUPAC Nametributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccc(F)nc2)c1C
InChIInChI=1S/C8H6FN4.3C4H9.Sn/c1-6-4-11-12-13(6)7-2-3-8(9)10-5-7;3*1-3-4-2;/h2-3,5H,1H3;3*1,3-4H2,2H3;
InChIKeyBQSWBSNGRMDWCY-UHFFFAOYSA-N
XLogP5.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.22
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tributyl-[1-(2-fluoro-4-methylphenyl)-5-methyltriazol-4-yl]stannane
CID 58926480
tributyl-[5-methyl-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]stannane
CID 58926494
[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methyltriazol-4-yl]-tributylstannane
CID 86601250
tributyl-(5-morpholin-4-yl-2-pyridinyl)stannane
CID 73357508
[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-tributylstannane
CID 68990322
6-fluoro-1-(6-fluoro-3-pyridinyl)-3,7-dimethylindazole
CID 171533505
2-fluoro-5-hexoxypyridine
CID 115371648
tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane
CID 67055399
tributyl-(4-fluoro-1-methylindazol-3-yl)stannane
CID 174732024
2-fluoro-5-methylpyridine
CID 2774635
tributyl-(6-fluoro-1-methylpyrazolo[4,3-b]pyridin-5-yl)stannane
CID 178139829
butyl-(4-methyl-2-pyridinyl)-dipentylstannane
CID 170630373

Frequently Asked Questions

What is the IUPAC name of tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane?
The IUPAC name of tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane (CID 58926474) is tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane.
What is the SMILES notation for tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane?
The canonical SMILES for tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccc(F)nc2)c1C.
What is the InChIKey of tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane?
The InChIKey is BQSWBSNGRMDWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN4.3C4H9.Sn/c1-6-4-11-12-13(6)7-2-3-8(9)10-5-7;3*1-3-4-2;/h2-3,5H,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane?
tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane has a molecular weight of 467.22 g/mol, XLogP of 5.17, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[1-(6-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]stannane is sourced from PubChem (CID 58926474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).