2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

C17H14N4O3 — CID 11163042

IUPAC2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESCCOc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1
InChIInChI=1S/C17H14N4O3/c1-2-24-12-9-7-11(8-10-12)21-17(23)20-14-6-4-3-5-13(14)18-16(22)15(20)19-21/h3-10H,2H2,1H3,(H,18,22)
InChIKeyTVPHILZLUXXDKM-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.73
Rot. Bonds3

About 2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (PubChem CID 11163042) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
PubChem CID11163042
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESCCOc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1
InChIInChI=1S/C17H14N4O3/c1-2-24-12-9-7-11(8-10-12)21-17(23)20-14-6-4-3-5-13(14)18-16(22)15(20)19-21/h3-10H,2H2,1H3,(H,18,22)
InChIKeyTVPHILZLUXXDKM-UHFFFAOYSA-N
XLogP1.73
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The IUPAC name of 2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (CID 11163042) is 2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The canonical SMILES for 2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is CCOc1ccc(-n2nc3c(=O)[nH]c4ccccc4n3c2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The InChIKey is TVPHILZLUXXDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-2-24-12-9-7-11(8-10-12)21-17(23)20-14-6-4-3-5-13(14)18-16(22)15(20)19-21/h3-10H,2H2,1H3,(H,18,22).
What are the key properties of 2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione has a molecular weight of 322.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is sourced from PubChem (CID 11163042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).