[4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol

C8H15N3O3S — CID 104523019

IUPAC[4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C(C)S(C)(=O)=O
InChIInChI=1S/C8H15N3O3S/c1-4-11-7(5-12)9-10-8(11)6(2)15(3,13)14/h6,12H,4-5H2,1-3H3
InChIKeyXWBXLMYOCDXAJC-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.10
Rot. Bonds4

About [4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol

[4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 104523019) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is [4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID104523019
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name[4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C(C)S(C)(=O)=O
InChIInChI=1S/C8H15N3O3S/c1-4-11-7(5-12)9-10-8(11)6(2)15(3,13)14/h6,12H,4-5H2,1-3H3
InChIKeyXWBXLMYOCDXAJC-UHFFFAOYSA-N
XLogP-0.10
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol (CID 104523019) is [4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1C(C)S(C)(=O)=O.
What is the InChIKey of [4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is XWBXLMYOCDXAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-4-11-7(5-12)9-10-8(11)6(2)15(3,13)14/h6,12H,4-5H2,1-3H3.
What are the key properties of [4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol?
[4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 233.29 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-5-(1-methylsulfonylethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 104523019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).