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

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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).