ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

C12H11N5O3 — CID 10849846

IUPACethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(N)ccc3n2n1
InChIInChI=1S/C12H11N5O3/c1-2-20-12(19)9-15-10-11(18)14-7-5-6(13)3-4-8(7)17(10)16-9/h3-5H,2,13H2,1H3,(H,14,18)
InChIKeyNOQPGSWCMNQGRA-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.33
Rot. Bonds2

About ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (PubChem CID 10849846) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
PubChem CID10849846
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Nameethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(N)ccc3n2n1
InChIInChI=1S/C12H11N5O3/c1-2-20-12(19)9-15-10-11(18)14-7-5-6(13)3-4-8(7)17(10)16-9/h3-5H,2,13H2,1H3,(H,14,18)
InChIKeyNOQPGSWCMNQGRA-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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Related Compounds

Ethyl 8-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 44461607
Ethyl 4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10422626
Ethyl 7-chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10661355
7-Nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 10754847
7,8-Dichloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10758555
8-Amino-7-nitro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 11150446
Diethyl 4,5-dihydro-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2,5-dicarboxylate
CID 11493648
Ethyl 8-methyl-4-oxo-4,5-dihydro-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11514585
Isopropyl 4,5-dihydro-4-oxo-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11521902
Ethyl 5-methyl-4-oxo-4,5-dihydro-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11543615
8-Amino-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 11558128
9-amino-7-chloro-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid
CID 25022525

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (CID 10849846) is ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is CCOC(=O)c1nc2c(=O)[nH]c3cc(N)ccc3n2n1.
What is the InChIKey of ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The InChIKey is NOQPGSWCMNQGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-2-20-12(19)9-15-10-11(18)14-7-5-6(13)3-4-8(7)17(10)16-9/h3-5H,2,13H2,1H3,(H,14,18).
What are the key properties of ethyl 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
ethyl 7-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 7-amino-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 10849846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).