diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate

C15H14N4O5 — CID 11493648

IUPACdiethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate
SMILESCCOC(=O)c1nc2c(=O)n(C(=O)OCC)c3ccccc3n2n1
InChIInChI=1S/C15H14N4O5/c1-3-23-14(21)11-16-12-13(20)18(15(22)24-4-2)9-7-5-6-8-10(9)19(12)17-11/h5-8H,3-4H2,1-2H3
InChIKeyCJMOFNWHVBBDDW-UHFFFAOYSA-N
MW330.30 g/mol
LogP1.23
Rot. Bonds3

About diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate

diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate (PubChem CID 11493648) has the molecular formula C15H14N4O5 and a molecular weight of 330.30 g/mol. Its IUPAC name is diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate
PubChem CID11493648
Molecular FormulaC15H14N4O5
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Namediethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate
SMILESCCOC(=O)c1nc2c(=O)n(C(=O)OCC)c3ccccc3n2n1
InChIInChI=1S/C15H14N4O5/c1-3-23-14(21)11-16-12-13(20)18(15(22)24-4-2)9-7-5-6-8-10(9)19(12)17-11/h5-8H,3-4H2,1-2H3
InChIKeyCJMOFNWHVBBDDW-UHFFFAOYSA-N
XLogP1.23
TPSA104.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate?
The IUPAC name of diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate (CID 11493648) is diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate.
What is the SMILES notation for diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate?
The canonical SMILES for diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate is CCOC(=O)c1nc2c(=O)n(C(=O)OCC)c3ccccc3n2n1.
What is the InChIKey of diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate?
The InChIKey is CJMOFNWHVBBDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5/c1-3-23-14(21)11-16-12-13(20)18(15(22)24-4-2)9-7-5-6-8-10(9)19(12)17-11/h5-8H,3-4H2,1-2H3.
What are the key properties of diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate?
diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate has a molecular weight of 330.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2,5-dicarboxylate is sourced from PubChem (CID 11493648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).