3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine

C9H10F3N5OS — CID 114352942

IUPAC3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine
SMILESFC(F)(F)c1nnc2sc(CC3COCCN3)nn12
InChIInChI=1S/C9H10F3N5OS/c10-9(11,12)7-14-15-8-17(7)16-6(19-8)3-5-4-18-2-1-13-5/h5,13H,1-4H2
InChIKeyBCSJZYGSIVDPLG-UHFFFAOYSA-N
MW293.27 g/mol
LogP0.74
Rot. Bonds2

About 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine

3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine (PubChem CID 114352942) has the molecular formula C9H10F3N5OS and a molecular weight of 293.27 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine
PubChem CID114352942
Molecular FormulaC9H10F3N5OS
Molecular Weight293.27 g/mol
Exact Mass293.06
IUPAC Name3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine
SMILESFC(F)(F)c1nnc2sc(CC3COCCN3)nn12
InChIInChI=1S/C9H10F3N5OS/c10-9(11,12)7-14-15-8-17(7)16-6(19-8)3-5-4-18-2-1-13-5/h5,13H,1-4H2
InChIKeyBCSJZYGSIVDPLG-UHFFFAOYSA-N
XLogP0.74
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine?
The IUPAC name of 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine (CID 114352942) is 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine.
What is the SMILES notation for 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine?
The canonical SMILES for 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine is FC(F)(F)c1nnc2sc(CC3COCCN3)nn12.
What is the InChIKey of 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine?
The InChIKey is BCSJZYGSIVDPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5OS/c10-9(11,12)7-14-15-8-17(7)16-6(19-8)3-5-4-18-2-1-13-5/h5,13H,1-4H2.
What are the key properties of 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine?
3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine has a molecular weight of 293.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]morpholine is sourced from PubChem (CID 114352942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).