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

C14H10Cl2N6S — CID 71702657

IUPAC6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1c(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cnn1C
InChIInChI=1S/C14H10Cl2N6S/c1-7-10(6-17-21(7)2)12-18-19-14-22(12)20-13(23-14)9-4-3-8(15)5-11(9)16/h3-6H,1-2H3
InChIKeyUUWSKUBQGASJSL-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.87
Rot. Bonds2

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

6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 71702657) has the molecular formula C14H10Cl2N6S and a molecular weight of 365.25 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID71702657
Molecular FormulaC14H10Cl2N6S
Molecular Weight365.25 g/mol
Exact Mass364.01
IUPAC Name6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1c(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cnn1C
InChIInChI=1S/C14H10Cl2N6S/c1-7-10(6-17-21(7)2)12-18-19-14-22(12)20-13(23-14)9-4-3-8(15)5-11(9)16/h3-6H,1-2H3
InChIKeyUUWSKUBQGASJSL-UHFFFAOYSA-N
XLogP3.87
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 71702657) is 6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1c(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cnn1C.
What is the InChIKey of 6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is UUWSKUBQGASJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N6S/c1-7-10(6-17-21(7)2)12-18-19-14-22(12)20-13(23-14)9-4-3-8(15)5-11(9)16/h3-6H,1-2H3.
What are the key properties of 6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 365.25 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 71702657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).