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

C13H7ClN4OS — CID 10063525

IUPAC8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(Cl)cc2n2nc(-c3cccs3)nc12
InChIInChI=1S/C13H7ClN4OS/c14-7-3-4-8-9(6-7)18-12(13(19)15-8)16-11(17-18)10-2-1-5-20-10/h1-6H,(H,15,19)
InChIKeySTQFYEMJERDQPY-UHFFFAOYSA-N
MW302.75 g/mol
LogP2.95
Rot. Bonds1

About 8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (PubChem CID 10063525) has the molecular formula C13H7ClN4OS and a molecular weight of 302.75 g/mol. Its IUPAC name is 8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
PubChem CID10063525
Molecular FormulaC13H7ClN4OS
Molecular Weight302.75 g/mol
Exact Mass302.00
IUPAC Name8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(Cl)cc2n2nc(-c3cccs3)nc12
InChIInChI=1S/C13H7ClN4OS/c14-7-3-4-8-9(6-7)18-12(13(19)15-8)16-11(17-18)10-2-1-5-20-10/h1-6H,(H,15,19)
InChIKeySTQFYEMJERDQPY-UHFFFAOYSA-N
XLogP2.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (CID 10063525) is 8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2ccc(Cl)cc2n2nc(-c3cccs3)nc12.
What is the InChIKey of 8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is STQFYEMJERDQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4OS/c14-7-3-4-8-9(6-7)18-12(13(19)15-8)16-11(17-18)10-2-1-5-20-10/h1-6H,(H,15,19).
What are the key properties of 8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 302.75 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-thiophen-2-yl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10063525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).