5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole

C4H3N5S — CID 140974300

IUPAC5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
SMILESc1n[nH]c(-c2ncns2)n1
InChIInChI=1S/C4H3N5S/c1-5-3(9-7-1)4-6-2-8-10-4/h1-2H,(H,5,7,9)
InChIKeyHWYQXTFDTMVQAL-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.32
Rot. Bonds1

About 5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole

5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole (PubChem CID 140974300) has the molecular formula C4H3N5S and a molecular weight of 153.17 g/mol. Its IUPAC name is 5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
PubChem CID140974300
Molecular FormulaC4H3N5S
Molecular Weight153.17 g/mol
Exact Mass153.01
IUPAC Name5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
SMILESc1n[nH]c(-c2ncns2)n1
InChIInChI=1S/C4H3N5S/c1-5-3(9-7-1)4-6-2-8-10-4/h1-2H,(H,5,7,9)
InChIKeyHWYQXTFDTMVQAL-UHFFFAOYSA-N
XLogP0.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1H-1,2,4-triazol-5-yl)-1,2,4-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 5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole (CID 140974300) is 5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole is c1n[nH]c(-c2ncns2)n1.
What is the InChIKey of 5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole?
The InChIKey is HWYQXTFDTMVQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5S/c1-5-3(9-7-1)4-6-2-8-10-4/h1-2H,(H,5,7,9).
What are the key properties of 5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole?
5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole has a molecular weight of 153.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 140974300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).