ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

C13H12N4O3 — CID 11543615

IUPACethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)n(C)c3ccccc3n2n1
InChIInChI=1S/C13H12N4O3/c1-3-20-13(19)10-14-11-12(18)16(2)8-6-4-5-7-9(8)17(11)15-10/h4-7H,3H2,1-2H3
InChIKeyROQQFZVFUZKDNJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.76
Rot. Bonds2

About ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (PubChem CID 11543615) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
PubChem CID11543615
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Nameethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)n(C)c3ccccc3n2n1
InChIInChI=1S/C13H12N4O3/c1-3-20-13(19)10-14-11-12(18)16(2)8-6-4-5-7-9(8)17(11)15-10/h4-7H,3H2,1-2H3
InChIKeyROQQFZVFUZKDNJ-UHFFFAOYSA-N
XLogP0.76
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
Ethyl 7-amino-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10849846
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
8-Amino-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 11558128
Ethyl 8-acetamido-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 44405058
[1,2,4]Triazolo[1,5-a]quinoxaline-2-carboxylic acid, 4,5-dihydro-4-oxo-
CID 10263231
4-Oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10639794
[(7-Chloro-4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carbonyl)-amino]-acetic acid methyl ester
CID 10759260

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (CID 11543615) is ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is CCOC(=O)c1nc2c(=O)n(C)c3ccccc3n2n1.
What is the InChIKey of ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The InChIKey is ROQQFZVFUZKDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-3-20-13(19)10-14-11-12(18)16(2)8-6-4-5-7-9(8)17(11)15-10/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate has a molecular weight of 272.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-oxo-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 11543615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).