3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one

C4H7N3OS — CID 137212019

IUPAC3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCSc1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H7N3OS/c1-2-9-4-5-3(8)6-7-4/h2H2,1H3,(H2,5,6,7,8)
InChIKeySNGGXENRPPKZSS-UHFFFAOYSA-N
MW145.19 g/mol
LogP0.21
Rot. Bonds2

About 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one

3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137212019) has the molecular formula C4H7N3OS and a molecular weight of 145.19 g/mol. Its IUPAC name is 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137212019
Molecular FormulaC4H7N3OS
Molecular Weight145.19 g/mol
Exact Mass145.03
IUPAC Name3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESCCSc1n[nH]c(=O)[nH]1
InChIInChI=1S/C4H7N3OS/c1-2-9-4-5-3(8)6-7-4/h2H2,1H3,(H2,5,6,7,8)
InChIKeySNGGXENRPPKZSS-UHFFFAOYSA-N
XLogP0.21
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-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

3-(3-Fluoropropylsulfanyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137190981
3-(2,2-Difluoroethylsulfanyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137203243
4-amino-3-ethylsulfanyl-1H-1,2,4-triazol-5-one
CID 19799793
3-Propan-2-ylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 135988205
3-Tert-butylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 137046124
Ethane;3-methylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 143577200
3-Butylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 136677038
3-(2-Methylsulfanylethylsulfanyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 137187642
3-Prop-2-ynylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 137216293
3-But-2-ynylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 137216595
3-Cyclobutylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 137242902

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one (CID 137212019) is 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one is CCSc1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is SNGGXENRPPKZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3OS/c1-2-9-4-5-3(8)6-7-4/h2H2,1H3,(H2,5,6,7,8).
What are the key properties of 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one?
3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 145.19 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137212019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).