ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

C12H11N5O3 — CID 11558128

IUPACethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3ccc(N)cc3n2n1
InChIInChI=1S/C12H11N5O3/c1-2-20-12(19)9-15-10-11(18)14-7-4-3-6(13)5-8(7)17(10)16-9/h3-5H,2,13H2,1H3,(H,14,18)
InChIKeyNYZSNSJFTMYHRW-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.33
Rot. Bonds2

About ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (PubChem CID 11558128) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
PubChem CID11558128
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Nameethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3ccc(N)cc3n2n1
InChIInChI=1S/C12H11N5O3/c1-2-20-12(19)9-15-10-11(18)14-7-4-3-6(13)5-8(7)17(10)16-9/h3-5H,2,13H2,1H3,(H,14,18)
InChIKeyNYZSNSJFTMYHRW-UHFFFAOYSA-N
XLogP0.33
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (CID 11558128) is ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is CCOC(=O)c1nc2c(=O)[nH]c3ccc(N)cc3n2n1.
What is the InChIKey of ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The InChIKey is NYZSNSJFTMYHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-2-20-12(19)9-15-10-11(18)14-7-4-3-6(13)5-8(7)17(10)16-9/h3-5H,2,13H2,1H3,(H,14,18).
What are the key properties of ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate has a molecular weight of 273.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 11558128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).