4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione

C9H8N6S — CID 121315359

IUPAC4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione
SMILESCn1c(-c2cccn3cnnc23)n[nH]c1=S
InChIInChI=1S/C9H8N6S/c1-14-7(12-13-9(14)16)6-3-2-4-15-5-10-11-8(6)15/h2-5H,1H3,(H,13,16)
InChIKeyCYOZZGWJZKJKEH-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.19
Rot. Bonds1

About 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione

4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 121315359) has the molecular formula C9H8N6S and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione
PubChem CID121315359
Molecular FormulaC9H8N6S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione
SMILESCn1c(-c2cccn3cnnc23)n[nH]c1=S
InChIInChI=1S/C9H8N6S/c1-14-7(12-13-9(14)16)6-3-2-4-15-5-10-11-8(6)15/h2-5H,1H3,(H,13,16)
InChIKeyCYOZZGWJZKJKEH-UHFFFAOYSA-N
XLogP1.19
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione 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 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione (CID 121315359) is 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione is Cn1c(-c2cccn3cnnc23)n[nH]c1=S.
What is the InChIKey of 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is CYOZZGWJZKJKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6S/c1-14-7(12-13-9(14)16)6-3-2-4-15-5-10-11-8(6)15/h2-5H,1H3,(H,13,16).
What are the key properties of 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione?
4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 232.27 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 121315359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).