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

C15H11N5OS — CID 665515

IUPAC3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2nnc3sc(-c4ccccn4)nn23)c1
InChIInChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)13-17-18-15-20(13)19-14(22-15)12-7-2-3-8-16-12/h2-9H,1H3
InChIKeyFCOMZICKKZCWHE-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.92
Rot. Bonds3

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

3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 665515) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID665515
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2nnc3sc(-c4ccccn4)nn23)c1
InChIInChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)13-17-18-15-20(13)19-14(22-15)12-7-2-3-8-16-12/h2-9H,1H3
InChIKeyFCOMZICKKZCWHE-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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 665515) is 3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1cccc(-c2nnc3sc(-c4ccccn4)nn23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is FCOMZICKKZCWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-21-11-6-4-5-10(9-11)13-17-18-15-20(13)19-14(22-15)12-7-2-3-8-16-12/h2-9H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(3-methoxyphenyl)-6-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 3-(3-methoxyphenyl)-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 665515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).