2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one

C5H9N3O2S — CID 137243365

IUPAC2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one
SMILESCSc1nn(CCO)c(=O)[nH]1
InChIInChI=1S/C5H9N3O2S/c1-11-4-6-5(10)8(7-4)2-3-9/h9H,2-3H2,1H3,(H,6,7,10)
InChIKeyWYKWVURXBRGNMC-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.71
Rot. Bonds3

About 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one

2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one (PubChem CID 137243365) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one
PubChem CID137243365
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one
SMILESCSc1nn(CCO)c(=O)[nH]1
InChIInChI=1S/C5H9N3O2S/c1-11-4-6-5(10)8(7-4)2-3-9/h9H,2-3H2,1H3,(H,6,7,10)
InChIKeyWYKWVURXBRGNMC-UHFFFAOYSA-N
XLogP-0.71
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(dimethylamino)-2-(2-hydroxyethyl)-4H-1,2,4-triazol-3-one
CID 135407510
2-(2-hydroxypropyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one
CID 137232796

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one (CID 137243365) is 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one is CSc1nn(CCO)c(=O)[nH]1.
What is the InChIKey of 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one?
The InChIKey is WYKWVURXBRGNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-11-4-6-5(10)8(7-4)2-3-9/h9H,2-3H2,1H3,(H,6,7,10).
What are the key properties of 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one?
2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one has a molecular weight of 175.21 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-methylsulfanyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 137243365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).