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

C15H11N5OS — CID 662681

IUPAC6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1
InChIInChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)14-19-20-13(17-18-15(20)22-14)12-7-2-3-8-16-12/h2-9H,1H3
InChIKeyQNZVYNNESTWZBU-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.92
Rot. Bonds3

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

6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 662681) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID662681
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1
InChIInChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)14-19-20-13(17-18-15(20)22-14)12-7-2-3-8-16-12/h2-9H,1H3
InChIKeyQNZVYNNESTWZBU-UHFFFAOYSA-N
XLogP2.92
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3-methoxyphenyl)-3-pyridin-2-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 6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 662681) is 6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is QNZVYNNESTWZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)14-19-20-13(17-18-15(20)22-14)12-7-2-3-8-16-12/h2-9H,1H3.
What are the key properties of 6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 309.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 662681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).