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

C14H7Cl2N5S — CID 662903

IUPAC6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)c(Cl)c1
InChIInChI=1S/C14H7Cl2N5S/c15-9-1-2-10(11(16)7-9)13-20-21-12(18-19-14(21)22-13)8-3-5-17-6-4-8/h1-7H
InChIKeyDEPPPXXRFXDTMI-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.22
Rot. Bonds2

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

6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 662903) has the molecular formula C14H7Cl2N5S and a molecular weight of 348.22 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID662903
Molecular FormulaC14H7Cl2N5S
Molecular Weight348.22 g/mol
Exact Mass346.98
IUPAC Name6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)c(Cl)c1
InChIInChI=1S/C14H7Cl2N5S/c15-9-1-2-10(11(16)7-9)13-20-21-12(18-19-14(21)22-13)8-3-5-17-6-4-8/h1-7H
InChIKeyDEPPPXXRFXDTMI-UHFFFAOYSA-N
XLogP4.22
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

6-(2,4-dichlorophenyl)-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 929606
6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663393
3-pyridin-4-yl-6-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 51048897
6-(2,4-dichlorophenyl)-3-(1,5-dimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71702657
6-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5311819
3-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2021657
3-[3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-5-phenyl-1,2-oxazole
CID 42581500
3-(2,4-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16763471
3-(4-chlorophenyl)-6-(2,3-difluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42569837
6-(2,5-dichlorophenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11840496
3-(3-chlorophenyl)-6-[4-[3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 11577531
6-[(E)-2-(4-chlorophenyl)ethenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6229201

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 662903) is 6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Clc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)c(Cl)c1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is DEPPPXXRFXDTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N5S/c15-9-1-2-10(11(16)7-9)13-20-21-12(18-19-14(21)22-13)8-3-5-17-6-4-8/h1-7H.
What are the key properties of 6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 348.22 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 662903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).