3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C15H11N5S — CID 848721

IUPAC3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(Cc2nnc3sc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C15H11N5S/c1-2-5-11(6-3-1)9-13-17-18-15-20(13)19-14(21-15)12-7-4-8-16-10-12/h1-8,10H,9H2
InChIKeyFGOYFNYINRJJGE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.84
Rot. Bonds3

About 3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 848721) has the molecular formula C15H11N5S and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID848721
Molecular FormulaC15H11N5S
Molecular Weight293.36 g/mol
Exact Mass293.07
IUPAC Name3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1ccc(Cc2nnc3sc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C15H11N5S/c1-2-5-11(6-3-1)9-13-17-18-15-20(13)19-14(21-15)12-7-4-8-16-10-12/h1-8,10H,9H2
InChIKeyFGOYFNYINRJJGE-UHFFFAOYSA-N
XLogP2.84
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-6-pyridin-3-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 3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 848721) is 3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1ccc(Cc2nnc3sc(-c4cccnc4)nn23)cc1.
What is the InChIKey of 3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is FGOYFNYINRJJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S/c1-2-5-11(6-3-1)9-13-17-18-15-20(13)19-14(21-15)12-7-4-8-16-10-12/h1-8,10H,9H2.
What are the key properties of 3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 293.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 848721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).