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

C16H13N5O2S — CID 25020909

IUPAC6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1cc(OC)cc(-c2nn3c(-c4ccccn4)nnc3s2)c1
InChIInChI=1S/C16H13N5O2S/c1-22-11-7-10(8-12(9-11)23-2)15-20-21-14(18-19-16(21)24-15)13-5-3-4-6-17-13/h3-9H,1-2H3
InChIKeyONBOJUVGPIZYOV-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.93
Rot. Bonds4

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

6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 25020909) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID25020909
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1cc(OC)cc(-c2nn3c(-c4ccccn4)nnc3s2)c1
InChIInChI=1S/C16H13N5O2S/c1-22-11-7-10(8-12(9-11)23-2)15-20-21-14(18-19-16(21)24-15)13-5-3-4-6-17-13/h3-9H,1-2H3
InChIKeyONBOJUVGPIZYOV-UHFFFAOYSA-N
XLogP2.93
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

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Related Compounds

6-(3,4-Dimethoxyphenyl)-3-pyridin-2-yl-(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole
CID 662931
6-(3-Methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662681
6-[(4-Methoxyphenoxy)methyl]-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1234090
6-(1,3-Benzodioxol-5-yl)-3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16414816
6-(Phenoxymethyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662259
6-(Phenoxymethyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663133
6-(4-methoxyphenyl)-3-(pyridin-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 663229
3-Pyridin-3-yl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663279
3-(3-Methoxyphenyl)-6-(pyridin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 665515
6-(4-Methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 934157
6-(4-Ethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936290
3-(2-Methoxyphenyl)-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1836241

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 25020909) is 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1cc(OC)cc(-c2nn3c(-c4ccccn4)nnc3s2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is ONBOJUVGPIZYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-22-11-7-10(8-12(9-11)23-2)15-20-21-14(18-19-16(21)24-15)13-5-3-4-6-17-13/h3-9H,1-2H3.
What are the key properties of 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 339.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 25020909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).