6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H12N4S — CID 664696

IUPAC6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C16H12N4S/c1-11-7-5-6-10-13(11)15-19-20-14(17-18-16(20)21-15)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyJYZKKYDMIQUISY-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.83
Rot. Bonds2

About 6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 664696) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID664696
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C16H12N4S/c1-11-7-5-6-10-13(11)15-19-20-14(17-18-16(20)21-15)12-8-3-2-4-9-12/h2-10H,1H3
InChIKeyJYZKKYDMIQUISY-UHFFFAOYSA-N
XLogP3.83
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-methylphenyl)-3-phenyl-[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-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 664696) is 6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1.
What is the InChIKey of 6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is JYZKKYDMIQUISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-11-7-5-6-10-13(11)15-19-20-14(17-18-16(20)21-15)12-8-3-2-4-9-12/h2-10H,1H3.
What are the key properties of 6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 292.37 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 664696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).