3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H12Cl2N6S — CID 45492940

IUPAC3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nn(C)c(C)c1-c1nn2c(-c3cc(Cl)cc(Cl)c3)nnc2s1
InChIInChI=1S/C15H12Cl2N6S/c1-7-12(8(2)22(3)20-7)14-21-23-13(18-19-15(23)24-14)9-4-10(16)6-11(17)5-9/h4-6H,1-3H3
InChIKeyHYSQWWUKNVXGBI-UHFFFAOYSA-N
MW379.28 g/mol
LogP4.18
Rot. Bonds2

About 3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 45492940) has the molecular formula C15H12Cl2N6S and a molecular weight of 379.28 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID45492940
Molecular FormulaC15H12Cl2N6S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC Name3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nn(C)c(C)c1-c1nn2c(-c3cc(Cl)cc(Cl)c3)nnc2s1
InChIInChI=1S/C15H12Cl2N6S/c1-7-12(8(2)22(3)20-7)14-21-23-13(18-19-15(23)24-14)9-4-10(16)6-11(17)5-9/h4-6H,1-3H3
InChIKeyHYSQWWUKNVXGBI-UHFFFAOYSA-N
XLogP4.18
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-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-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 45492940) is 3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nn(C)c(C)c1-c1nn2c(-c3cc(Cl)cc(Cl)c3)nnc2s1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is HYSQWWUKNVXGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N6S/c1-7-12(8(2)22(3)20-7)14-21-23-13(18-19-15(23)24-14)9-4-10(16)6-11(17)5-9/h4-6H,1-3H3.
What are the key properties of 3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 379.28 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 45492940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).