3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid

C10H5FN4O2S — CID 82160049

IUPAC3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid
SMILESO=C(O)c1nn2c(-c3ccc(F)cc3)nnc2s1
InChIInChI=1S/C10H5FN4O2S/c11-6-3-1-5(2-4-6)7-12-13-10-15(7)14-8(18-10)9(16)17/h1-4H,(H,16,17)
InChIKeyVMLWIBSSDBODQX-UHFFFAOYSA-N
MW264.24 g/mol
LogP1.69
Rot. Bonds2

About 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid

3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid (PubChem CID 82160049) has the molecular formula C10H5FN4O2S and a molecular weight of 264.24 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid
PubChem CID82160049
Molecular FormulaC10H5FN4O2S
Molecular Weight264.24 g/mol
Exact Mass264.01
IUPAC Name3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid
SMILESO=C(O)c1nn2c(-c3ccc(F)cc3)nnc2s1
InChIInChI=1S/C10H5FN4O2S/c11-6-3-1-5(2-4-6)7-12-13-10-15(7)14-8(18-10)9(16)17/h1-4H,(H,16,17)
InChIKeyVMLWIBSSDBODQX-UHFFFAOYSA-N
XLogP1.69
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid (CID 82160049) is 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid is O=C(O)c1nn2c(-c3ccc(F)cc3)nnc2s1.
What is the InChIKey of 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid?
The InChIKey is VMLWIBSSDBODQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN4O2S/c11-6-3-1-5(2-4-6)7-12-13-10-15(7)14-8(18-10)9(16)17/h1-4H,(H,16,17).
What are the key properties of 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid?
3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxylic acid is sourced from PubChem (CID 82160049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).