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

C8H8F3N5S — CID 114352891

IUPAC6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc2sc(C3CCCN3)nn12
InChIInChI=1S/C8H8F3N5S/c9-8(10,11)6-13-14-7-16(6)15-5(17-7)4-2-1-3-12-4/h4,12H,1-3H2
InChIKeyAQVZRSRJMNOQDL-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.63
Rot. Bonds1

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

6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 114352891) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID114352891
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC Name6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc2sc(C3CCCN3)nn12
InChIInChI=1S/C8H8F3N5S/c9-8(10,11)6-13-14-7-16(6)15-5(17-7)4-2-1-3-12-4/h4,12H,1-3H2
InChIKeyAQVZRSRJMNOQDL-UHFFFAOYSA-N
XLogP1.63
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 114352891) is 6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is FC(F)(F)c1nnc2sc(C3CCCN3)nn12.
What is the InChIKey of 6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is AQVZRSRJMNOQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c9-8(10,11)6-13-14-7-16(6)15-5(17-7)4-2-1-3-12-4/h4,12H,1-3H2.
What are the key properties of 6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 263.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 114352891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).