2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline

C14H15N5O2S — CID 146144437

IUPAC2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline
SMILESCCS(=O)(=O)CCn1cc(-c2cnc3ccccc3n2)nn1
InChIInChI=1S/C14H15N5O2S/c1-2-22(20,21)8-7-19-10-14(17-18-19)13-9-15-11-5-3-4-6-12(11)16-13/h3-6,9-10H,2,7-8H2,1H3
InChIKeyHKCNUNOLIQWDRJ-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.32
Rot. Bonds5

About 2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline

2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline (PubChem CID 146144437) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline.

Molecular Properties

Compound Name2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline
PubChem CID146144437
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline
SMILESCCS(=O)(=O)CCn1cc(-c2cnc3ccccc3n2)nn1
InChIInChI=1S/C14H15N5O2S/c1-2-22(20,21)8-7-19-10-14(17-18-19)13-9-15-11-5-3-4-6-12(11)16-13/h3-6,9-10H,2,7-8H2,1H3
InChIKeyHKCNUNOLIQWDRJ-UHFFFAOYSA-N
XLogP1.32
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline?
The IUPAC name of 2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline (CID 146144437) is 2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline.
What is the SMILES notation for 2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline?
The canonical SMILES for 2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline is CCS(=O)(=O)CCn1cc(-c2cnc3ccccc3n2)nn1.
What is the InChIKey of 2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline?
The InChIKey is HKCNUNOLIQWDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-2-22(20,21)8-7-19-10-14(17-18-19)13-9-15-11-5-3-4-6-12(11)16-13/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline?
2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline has a molecular weight of 317.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylsulfonylethyl)triazol-4-yl]quinoxaline is sourced from PubChem (CID 146144437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).