6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C11H14F3N5S — CID 114352782

IUPAC6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCC1(c2nn3c(C(F)(F)F)nnc3s2)CCNCC1
InChIInChI=1S/C11H14F3N5S/c1-2-10(3-5-15-6-4-10)8-18-19-7(11(12,13)14)16-17-9(19)20-8/h15H,2-6H2,1H3
InChIKeyZEGITPDSOGBBPQ-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.24
Rot. Bonds2

About 6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114352782) has the molecular formula C11H14F3N5S and a molecular weight of 305.33 g/mol. Its IUPAC name is 6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114352782
Molecular FormulaC11H14F3N5S
Molecular Weight305.33 g/mol
Exact Mass305.09
IUPAC Name6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCC1(c2nn3c(C(F)(F)F)nnc3s2)CCNCC1
InChIInChI=1S/C11H14F3N5S/c1-2-10(3-5-15-6-4-10)8-18-19-7(11(12,13)14)16-17-9(19)20-8/h15H,2-6H2,1H3
InChIKeyZEGITPDSOGBBPQ-UHFFFAOYSA-N
XLogP2.24
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114352782) is 6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCC1(c2nn3c(C(F)(F)F)nnc3s2)CCNCC1.
What is the InChIKey of 6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ZEGITPDSOGBBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5S/c1-2-10(3-5-15-6-4-10)8-18-19-7(11(12,13)14)16-17-9(19)20-8/h15H,2-6H2,1H3.
What are the key properties of 6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 305.33 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114352782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).