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

C10H3Cl2F3N4S — CID 16763471

IUPAC3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1
InChIInChI=1S/C10H3Cl2F3N4S/c11-4-1-2-5(6(12)3-4)7-16-17-9-19(7)18-8(20-9)10(13,14)15/h1-3H
InChIKeyVRJZVRSBCOVNNK-UHFFFAOYSA-N
MW339.13 g/mol
LogP4.18
Rot. Bonds1

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

3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 16763471) has the molecular formula C10H3Cl2F3N4S and a molecular weight of 339.13 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID16763471
Molecular FormulaC10H3Cl2F3N4S
Molecular Weight339.13 g/mol
Exact Mass337.94
IUPAC Name3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1
InChIInChI=1S/C10H3Cl2F3N4S/c11-4-1-2-5(6(12)3-4)7-16-17-9-19(7)18-8(20-9)10(13,14)15/h1-3H
InChIKeyVRJZVRSBCOVNNK-UHFFFAOYSA-N
XLogP4.18
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.13
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 16763471) is 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is FC(F)(F)c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is VRJZVRSBCOVNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl2F3N4S/c11-4-1-2-5(6(12)3-4)7-16-17-9-19(7)18-8(20-9)10(13,14)15/h1-3H.
What are the key properties of 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 339.13 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 16763471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).