4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole

C9H14N8S — CID 134067046

IUPAC4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole
SMILESc1c[nH]c(-c2cn(CCSC3CNNN3)nn2)n1
InChIInChI=1S/C9H14N8S/c1-2-11-9(10-1)7-6-17(16-13-7)3-4-18-8-5-12-15-14-8/h1-2,6,8,12,14-15H,3-5H2,(H,10,11)
InChIKeyFKGOELZXVNTQFZ-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.66
Rot. Bonds5

About 4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole

4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole (PubChem CID 134067046) has the molecular formula C9H14N8S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole
PubChem CID134067046
Molecular FormulaC9H14N8S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC Name4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole
SMILESc1c[nH]c(-c2cn(CCSC3CNNN3)nn2)n1
InChIInChI=1S/C9H14N8S/c1-2-11-9(10-1)7-6-17(16-13-7)3-4-18-8-5-12-15-14-8/h1-2,6,8,12,14-15H,3-5H2,(H,10,11)
InChIKeyFKGOELZXVNTQFZ-UHFFFAOYSA-N
XLogP-0.66
TPSA95.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole 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-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole (CID 134067046) is 4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole is c1c[nH]c(-c2cn(CCSC3CNNN3)nn2)n1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole?
The InChIKey is FKGOELZXVNTQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N8S/c1-2-11-9(10-1)7-6-17(16-13-7)3-4-18-8-5-12-15-14-8/h1-2,6,8,12,14-15H,3-5H2,(H,10,11).
What are the key properties of 4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole?
4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole has a molecular weight of 266.33 g/mol, XLogP of -0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-1-[2-(triazolidin-4-ylsulfanyl)ethyl]triazole is sourced from PubChem (CID 134067046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).