3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole

C4H3N5S — CID 57048643

IUPAC3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole
SMILESc1n[nH]c(-c2cnsn2)n1
InChIInChI=1S/C4H3N5S/c1-3(9-10-7-1)4-5-2-6-8-4/h1-2H,(H,5,6,8)
InChIKeyKIIYEZWBAVTFKW-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.32
Rot. Bonds1

About 3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole

3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole (PubChem CID 57048643) has the molecular formula C4H3N5S and a molecular weight of 153.17 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole
PubChem CID57048643
Molecular FormulaC4H3N5S
Molecular Weight153.17 g/mol
Exact Mass153.01
IUPAC Name3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole
SMILESc1n[nH]c(-c2cnsn2)n1
InChIInChI=1S/C4H3N5S/c1-3(9-10-7-1)4-5-2-6-8-4/h1-2H,(H,5,6,8)
InChIKeyKIIYEZWBAVTFKW-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole (CID 57048643) is 3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole is c1n[nH]c(-c2cnsn2)n1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole?
The InChIKey is KIIYEZWBAVTFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N5S/c1-3(9-10-7-1)4-5-2-6-8-4/h1-2H,(H,5,6,8).
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole?
3-(1H-1,2,4-triazol-5-yl)-1,2,5-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 3-(1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 57048643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).