2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol

C8H15N3OS — CID 54473223

IUPAC2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
SMILESCCCCn1cnnc1SCCO
InChIInChI=1S/C8H15N3OS/c1-2-3-4-11-7-9-10-8(11)13-6-5-12/h7,12H,2-6H2,1H3
InChIKeyXJSUZDLMXQTOHA-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.16
Rot. Bonds6

About 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol

2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol (PubChem CID 54473223) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
PubChem CID54473223
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol
SMILESCCCCn1cnnc1SCCO
InChIInChI=1S/C8H15N3OS/c1-2-3-4-11-7-9-10-8(11)13-6-5-12/h7,12H,2-6H2,1H3
InChIKeyXJSUZDLMXQTOHA-UHFFFAOYSA-N
XLogP1.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol 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 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol (CID 54473223) is 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol is CCCCn1cnnc1SCCO.
What is the InChIKey of 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol?
The InChIKey is XJSUZDLMXQTOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-2-3-4-11-7-9-10-8(11)13-6-5-12/h7,12H,2-6H2,1H3.
What are the key properties of 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol?
2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol has a molecular weight of 201.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanol is sourced from PubChem (CID 54473223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).