3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

C12H7F3N4S — CID 5139777

IUPAC3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(Sc2nnc3ccccn23)nc1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)8-4-5-10(16-7-8)20-11-18-17-9-3-1-2-6-19(9)11/h1-7H
InChIKeyVATWJSNJPAQDRR-UHFFFAOYSA-N
MW296.28 g/mol
LogP3.29
Rot. Bonds2

About 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 5139777) has the molecular formula C12H7F3N4S and a molecular weight of 296.28 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID5139777
Molecular FormulaC12H7F3N4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC Name3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1ccc(Sc2nnc3ccccn23)nc1
InChIInChI=1S/C12H7F3N4S/c13-12(14,15)8-4-5-10(16-7-8)20-11-18-17-9-3-1-2-6-19(9)11/h1-7H
InChIKeyVATWJSNJPAQDRR-UHFFFAOYSA-N
XLogP3.29
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 5139777) is 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1ccc(Sc2nnc3ccccn23)nc1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VATWJSNJPAQDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4S/c13-12(14,15)8-4-5-10(16-7-8)20-11-18-17-9-3-1-2-6-19(9)11/h1-7H.
What are the key properties of 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 296.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 5139777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).