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

C10H7FN4S — CID 850435

IUPAC6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nnc2sc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C10H7FN4S/c1-6-12-13-10-15(6)14-9(16-10)7-2-4-8(11)5-3-7/h2-5H,1H3
InChIKeyIDAOCOHSZYGHEU-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.30
Rot. Bonds1

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

6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 850435) has the molecular formula C10H7FN4S and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID850435
Molecular FormulaC10H7FN4S
Molecular Weight234.26 g/mol
Exact Mass234.04
IUPAC Name6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nnc2sc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C10H7FN4S/c1-6-12-13-10-15(6)14-9(16-10)7-2-4-8(11)5-3-7/h2-5H,1H3
InChIKeyIDAOCOHSZYGHEU-UHFFFAOYSA-N
XLogP2.30
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 850435) is 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nnc2sc(-c3ccc(F)cc3)nn12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is IDAOCOHSZYGHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4S/c1-6-12-13-10-15(6)14-9(16-10)7-2-4-8(11)5-3-7/h2-5H,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 234.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 850435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).