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

C9H4F3N5S — CID 665916

IUPAC6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc2sc(-c3ccccn3)nn12
InChIInChI=1S/C9H4F3N5S/c10-9(11,12)7-14-15-8-17(7)16-6(18-8)5-3-1-2-4-13-5/h1-4H
InChIKeyYEORTIBZBZKBLH-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.27
Rot. Bonds1

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

6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 665916) has the molecular formula C9H4F3N5S and a molecular weight of 271.23 g/mol. Its IUPAC name is 6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID665916
Molecular FormulaC9H4F3N5S
Molecular Weight271.23 g/mol
Exact Mass271.01
IUPAC Name6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc2sc(-c3ccccn3)nn12
InChIInChI=1S/C9H4F3N5S/c10-9(11,12)7-14-15-8-17(7)16-6(18-8)5-3-1-2-4-13-5/h1-4H
InChIKeyYEORTIBZBZKBLH-UHFFFAOYSA-N
XLogP2.27
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 665916) is 6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is FC(F)(F)c1nnc2sc(-c3ccccn3)nn12.
What is the InChIKey of 6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is YEORTIBZBZKBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N5S/c10-9(11,12)7-14-15-8-17(7)16-6(18-8)5-3-1-2-4-13-5/h1-4H.
What are the key properties of 6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 271.23 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 665916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).