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

C11H15F3N4O — CID 81250906

IUPAC3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine
SMILESFC(F)(F)C1CCc2nnc(C3COCCN3)n2C1
InChIInChI=1S/C11H15F3N4O/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
InChIKeyUGXLYSLBCNATFL-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.06
Rot. Bonds1

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

3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine (PubChem CID 81250906) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine
PubChem CID81250906
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine
SMILESFC(F)(F)C1CCc2nnc(C3COCCN3)n2C1
InChIInChI=1S/C11H15F3N4O/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
InChIKeyUGXLYSLBCNATFL-UHFFFAOYSA-N
XLogP1.06
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.06
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]morpholine?
The IUPAC name of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine (CID 81250906) is 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine.
What is the SMILES notation for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine?
The canonical SMILES for 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine is FC(F)(F)C1CCc2nnc(C3COCCN3)n2C1.
What is the InChIKey of 3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine?
The InChIKey is UGXLYSLBCNATFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/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]morpholine?
3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]morpholine has a molecular weight of 276.26 g/mol, XLogP of 1.06, 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]morpholine is sourced from PubChem (CID 81250906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).