ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate

C18H16N4O2 — CID 118721211

IUPACethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
SMILESCCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21
InChIInChI=1S/C18H16N4O2/c1-2-24-18(23)21-12-16-19-17(13-8-4-3-5-9-13)20-22(16)15-11-7-6-10-14(15)21/h3-11H,2,12H2,1H3
InChIKeyOITPIDBCDBQPMS-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.41
Rot. Bonds2

About ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate

ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate (PubChem CID 118721211) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
PubChem CID118721211
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Nameethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
SMILESCCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21
InChIInChI=1S/C18H16N4O2/c1-2-24-18(23)21-12-16-19-17(13-8-4-3-5-9-13)20-22(16)15-11-7-6-10-14(15)21/h3-11H,2,12H2,1H3
InChIKeyOITPIDBCDBQPMS-UHFFFAOYSA-N
XLogP3.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The IUPAC name of ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate (CID 118721211) is ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate.
What is the SMILES notation for ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The canonical SMILES for ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate is CCOC(=O)N1Cc2nc(-c3ccccc3)nn2-c2ccccc21.
What is the InChIKey of ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The InChIKey is OITPIDBCDBQPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-2-24-18(23)21-12-16-19-17(13-8-4-3-5-9-13)20-22(16)15-11-7-6-10-14(15)21/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate is sourced from PubChem (CID 118721211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).