3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H15FN6S — CID 45493922

IUPAC3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCn1nc(C)cc1-c1nn2c(-c3cccc(F)c3)nnc2s1
InChIInChI=1S/C16H15FN6S/c1-3-7-22-13(8-10(2)20-22)15-21-23-14(18-19-16(23)24-15)11-5-4-6-12(17)9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyRRRQFSWVABLPKU-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.57
Rot. Bonds4

About 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 45493922) has the molecular formula C16H15FN6S and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID45493922
Molecular FormulaC16H15FN6S
Molecular Weight342.40 g/mol
Exact Mass342.11
IUPAC Name3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCCn1nc(C)cc1-c1nn2c(-c3cccc(F)c3)nnc2s1
InChIInChI=1S/C16H15FN6S/c1-3-7-22-13(8-10(2)20-22)15-21-23-14(18-19-16(23)24-15)11-5-4-6-12(17)9-11/h4-6,8-9H,3,7H2,1-2H3
InChIKeyRRRQFSWVABLPKU-UHFFFAOYSA-N
XLogP3.57
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[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 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 45493922) is 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCCn1nc(C)cc1-c1nn2c(-c3cccc(F)c3)nnc2s1.
What is the InChIKey of 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is RRRQFSWVABLPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6S/c1-3-7-22-13(8-10(2)20-22)15-21-23-14(18-19-16(23)24-15)11-5-4-6-12(17)9-11/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 342.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-(5-methyl-2-propylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 45493922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).