2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

C13H8N4OS — CID 10468228

IUPAC2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2nc(-c3cccs3)nc12
InChIInChI=1S/C13H8N4OS/c18-13-12-15-11(10-6-3-7-19-10)16-17(12)9-5-2-1-4-8(9)14-13/h1-7H,(H,14,18)
InChIKeyHBSPGCUYFBGEIL-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.30
Rot. Bonds1

About 2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (PubChem CID 10468228) has the molecular formula C13H8N4OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
PubChem CID10468228
Molecular FormulaC13H8N4OS
Molecular Weight268.30 g/mol
Exact Mass268.04
IUPAC Name2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccccc2n2nc(-c3cccs3)nc12
InChIInChI=1S/C13H8N4OS/c18-13-12-15-11(10-6-3-7-19-10)16-17(12)9-5-2-1-4-8(9)14-13/h1-7H,(H,14,18)
InChIKeyHBSPGCUYFBGEIL-UHFFFAOYSA-N
XLogP2.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (CID 10468228) is 2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2ccccc2n2nc(-c3cccs3)nc12.
What is the InChIKey of 2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is HBSPGCUYFBGEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4OS/c18-13-12-15-11(10-6-3-7-19-10)16-17(12)9-5-2-1-4-8(9)14-13/h1-7H,(H,14,18).
What are the key properties of 2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 268.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10468228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).