3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine

C11H15F3N4S — CID 82908537

IUPAC3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine
SMILESFC(F)(F)C1CCc2nnc(C3CSCCN3)n2C1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)7-1-2-9-16-17-10(18(9)5-7)8-6-19-4-3-15-8/h7-8,15H,1-6H2
InChIKeyIAJYEYUHOZVBEU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.78
Rot. Bonds1

About 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine

3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine (PubChem CID 82908537) has the molecular formula C11H15F3N4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine
PubChem CID82908537
Molecular FormulaC11H15F3N4S
Molecular Weight292.33 g/mol
Exact Mass292.10
IUPAC Name3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine
SMILESFC(F)(F)C1CCc2nnc(C3CSCCN3)n2C1
InChIInChI=1S/C11H15F3N4S/c12-11(13,14)7-1-2-9-16-17-10(18(9)5-7)8-6-19-4-3-15-8/h7-8,15H,1-6H2
InChIKeyIAJYEYUHOZVBEU-UHFFFAOYSA-N
XLogP1.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine?
The IUPAC name of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine (CID 82908537) is 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine.
What is the SMILES notation for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine?
The canonical SMILES for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine is FC(F)(F)C1CCc2nnc(C3CSCCN3)n2C1.
What is the InChIKey of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine?
The InChIKey is IAJYEYUHOZVBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4S/c12-11(13,14)7-1-2-9-16-17-10(18(9)5-7)8-6-19-4-3-15-8/h7-8,15H,1-6H2.
What are the key properties of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine?
3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine has a molecular weight of 292.33 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]thiomorpholine is sourced from PubChem (CID 82908537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).