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

C14H7Cl2N5S — CID 663393

IUPAC6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)c(Cl)c1
InChIInChI=1S/C14H7Cl2N5S/c15-8-4-5-9(10(16)7-8)13-20-21-12(18-19-14(21)22-13)11-3-1-2-6-17-11/h1-7H
InChIKeyNHYBLPMHCSFKOM-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.22
Rot. Bonds2

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

6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 663393) has the molecular formula C14H7Cl2N5S and a molecular weight of 348.22 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID663393
Molecular FormulaC14H7Cl2N5S
Molecular Weight348.22 g/mol
Exact Mass346.98
IUPAC Name6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESClc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)c(Cl)c1
InChIInChI=1S/C14H7Cl2N5S/c15-8-4-5-9(10(16)7-8)13-20-21-12(18-19-14(21)22-13)11-3-1-2-6-17-11/h1-7H
InChIKeyNHYBLPMHCSFKOM-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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 663393) is 6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Clc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)c(Cl)c1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is NHYBLPMHCSFKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2N5S/c15-8-4-5-9(10(16)7-8)13-20-21-12(18-19-14(21)22-13)11-3-1-2-6-17-11/h1-7H.
What are the key properties of 6-(2,4-dichlorophenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2,4-dichlorophenyl)-3-pyridin-2-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-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 663393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).