1-(3-ethylsulfonylpropyl)-1,2,4-triazole

C7H13N3O2S — CID 65097350

IUPAC1-(3-ethylsulfonylpropyl)-1,2,4-triazole
SMILESCCS(=O)(=O)CCCn1cncn1
InChIInChI=1S/C7H13N3O2S/c1-2-13(11,12)5-3-4-10-7-8-6-9-10/h6-7H,2-5H2,1H3
InChIKeyHREFUMAKEBIHJR-UHFFFAOYSA-N
MW203.27 g/mol
LogP0.10
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-1,2,4-triazole

1-(3-ethylsulfonylpropyl)-1,2,4-triazole (PubChem CID 65097350) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-1,2,4-triazole
PubChem CID65097350
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name1-(3-ethylsulfonylpropyl)-1,2,4-triazole
SMILESCCS(=O)(=O)CCCn1cncn1
InChIInChI=1S/C7H13N3O2S/c1-2-13(11,12)5-3-4-10-7-8-6-9-10/h6-7H,2-5H2,1H3
InChIKeyHREFUMAKEBIHJR-UHFFFAOYSA-N
XLogP0.10
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethylsulfonylpropyl)-1,2,4-triazole 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

2-(1H-1,2,4-triazol-1-yl)ethane-1-sulfonyl fluoride
CID 165703383
1-[2-(Methylsulfonyl)ethyl]-1h-1,2,4-triazole
CID 63811317
N-(1,1-dioxothietan-3-yl)-1,2,4-triazole
CID 105435416
3-(3-Iodo-1H-1,2,4-triazol-1-yl)-1lambda6-thiolane-1,1-dione
CID 79784242
1-(1,1-Dioxothietan-3-yl)-3-methylsulfanyl-1,2,4-triazole
CID 129874881
3-(1H-1,2,4-triazol-1-yl)propane-1-sulfonyl fluoride
CID 165870900
4-[2-(isobutylsulfonyl)ethyl]-4H-1,2,4-triazole
CID 50979783
3-(1,2,4-Triazol-1-yl)thiolane 1,1-dioxide
CID 63811315
1-(1,2,4-Triazol-1-yl)ethanesulfonamide
CID 67216456
2-(1,2,4-Triazol-1-yl)ethanesulfonamide
CID 67216457
1-(2-Ethylsulfonylpropyl)-3-methyl-1,2,4-triazole
CID 68224857
3-Methyl-1-(2-propylsulfonylethyl)-1,2,4-triazole
CID 68301467

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-1,2,4-triazole?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-1,2,4-triazole (CID 65097350) is 1-(3-ethylsulfonylpropyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-1,2,4-triazole?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-1,2,4-triazole is CCS(=O)(=O)CCCn1cncn1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-1,2,4-triazole?
The InChIKey is HREFUMAKEBIHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-2-13(11,12)5-3-4-10-7-8-6-9-10/h6-7H,2-5H2,1H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-1,2,4-triazole?
1-(3-ethylsulfonylpropyl)-1,2,4-triazole has a molecular weight of 203.27 g/mol, XLogP of 0.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-1,2,4-triazole is sourced from PubChem (CID 65097350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).