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

C13H6F3N5S — CID 51053062

IUPAC6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc2sc(-c3ccc4ncccc4c3)nn12
InChIInChI=1S/C13H6F3N5S/c14-13(15,16)11-18-19-12-21(11)20-10(22-12)8-3-4-9-7(6-8)2-1-5-17-9/h1-6H
InChIKeyBJZXUFDLMCVVKR-UHFFFAOYSA-N
MW321.29 g/mol
LogP3.42
Rot. Bonds1

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

6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 51053062) has the molecular formula C13H6F3N5S and a molecular weight of 321.29 g/mol. Its IUPAC name is 6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID51053062
Molecular FormulaC13H6F3N5S
Molecular Weight321.29 g/mol
Exact Mass321.03
IUPAC Name6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nnc2sc(-c3ccc4ncccc4c3)nn12
InChIInChI=1S/C13H6F3N5S/c14-13(15,16)11-18-19-12-21(11)20-10(22-12)8-3-4-9-7(6-8)2-1-5-17-9/h1-6H
InChIKeyBJZXUFDLMCVVKR-UHFFFAOYSA-N
XLogP3.42
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzaldehyde
CID 95909496
3-[difluoro(quinolin-6-yl)methyl]-6-(1-methyl-3-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 59608400
6-(1H-indol-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 135657709
4-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol
CID 136903903
6-(furan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 667007
3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzene-1,2-diol
CID 136991425
6-(1-methylpyrazol-4-yl)-3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 25144777
2-pyridin-3-yl-5-quinolin-6-yl-1,3,4-thiadiazole
CID 167901241
5-methyl-2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
CID 136991416
4-bromo-2-quinolin-6-yl-1,3-thiazole
CID 81221650
3-bromo-5-quinolin-6-yl-1,2,4-thiadiazole
CID 102943433
6-[6-(trifluoromethyl)-3-pyridinyl]quinoline
CID 175877978

Frequently Asked Questions

What is the IUPAC name of 6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 51053062) is 6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is FC(F)(F)c1nnc2sc(-c3ccc4ncccc4c3)nn12.
What is the InChIKey of 6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is BJZXUFDLMCVVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N5S/c14-13(15,16)11-18-19-12-21(11)20-10(22-12)8-3-4-9-7(6-8)2-1-5-17-9/h1-6H.
What are the key properties of 6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 321.29 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-6-yl-3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 51053062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).