tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane

C19H31FN4Sn — CID 67055399

IUPACtributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(-c2cccc(F)n2)nn1
InChIInChI=1S/C7H4FN4.3C4H9.Sn/c8-6-2-1-3-7(10-6)12-5-4-9-11-12;3*1-3-4-2;/h1-3,5H;3*1,3-4H2,2H3;
InChIKeyJVKDGMRYUSRTAI-UHFFFAOYSA-N
MW453.19 g/mol
LogP4.86
Rot. Bonds11

About tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane

tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane (PubChem CID 67055399) has the molecular formula C19H31FN4Sn and a molecular weight of 453.19 g/mol. Its IUPAC name is tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane
PubChem CID67055399
Molecular FormulaC19H31FN4Sn
Molecular Weight453.19 g/mol
Exact Mass454.16
IUPAC Nametributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cn(-c2cccc(F)n2)nn1
InChIInChI=1S/C7H4FN4.3C4H9.Sn/c8-6-2-1-3-7(10-6)12-5-4-9-11-12;3*1-3-4-2;/h1-3,5H;3*1,3-4H2,2H3;
InChIKeyJVKDGMRYUSRTAI-UHFFFAOYSA-N
XLogP4.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.19
LogP ≤ 54.86
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

Pyridine, 2-(4-aminopyrazol-1-yl)-
CID 206681
2-(1H-pyrazol-1-yl)pyridine
CID 5324086
3-(Tetrazol-1-yl)pyridine
CID 11217334
3-(1H-1,2,4-Triazol-1-yl)pyridine
CID 16654685
6-(2H-1,2,3-triazol-2-yl)pyridin-3-amine
CID 18071426
N-propyl-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]propan-1-amine
CID 10753707
Pyridine, 2-((2-(dimethylamino)ethyl)(selenophene-2-ylmethyl)amino)-
CID 3024699
6-(1H-pyrazol-1-yl)pyridin-3-amine
CID 16774822
5-fluoro-2-(1H-imidazol-1-yl)pyridine
CID 53256680
1-(3-fluoropyridin-2-yl)-1H-pyrazol-4-amine
CID 62734561
6-(1H-1,2,3,4-tetrazol-1-yl)pyridin-3-amine
CID 66927338
2-Fluoro-6-pyrazol-1-yl-pyridine
CID 61229381

Frequently Asked Questions

What is the IUPAC name of tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane?
The IUPAC name of tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane (CID 67055399) is tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane.
What is the SMILES notation for tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane?
The canonical SMILES for tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cn(-c2cccc(F)n2)nn1.
What is the InChIKey of tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane?
The InChIKey is JVKDGMRYUSRTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN4.3C4H9.Sn/c8-6-2-1-3-7(10-6)12-5-4-9-11-12;3*1-3-4-2;/h1-3,5H;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane?
tributyl-[1-(6-fluoro-2-pyridinyl)triazol-4-yl]stannane has a molecular weight of 453.19 g/mol, XLogP of 4.86, 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-2-pyridinyl)triazol-4-yl]stannane is sourced from PubChem (CID 67055399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).