ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

C14H11N7O3 — CID 11001900

IUPACethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(-n4cnnc4)ccc3n2n1
InChIInChI=1S/C14H11N7O3/c1-2-24-14(23)11-18-12-13(22)17-9-5-8(20-6-15-16-7-20)3-4-10(9)21(12)19-11/h3-7H,2H2,1H3,(H,17,22)
InChIKeyBJFMJOVUIYXTOP-UHFFFAOYSA-N
MW325.29 g/mol
LogP0.33
Rot. Bonds3

About ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (PubChem CID 11001900) has the molecular formula C14H11N7O3 and a molecular weight of 325.29 g/mol. Its IUPAC name is ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
PubChem CID11001900
Molecular FormulaC14H11N7O3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Nameethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c(=O)[nH]c3cc(-n4cnnc4)ccc3n2n1
InChIInChI=1S/C14H11N7O3/c1-2-24-14(23)11-18-12-13(22)17-9-5-8(20-6-15-16-7-20)3-4-10(9)21(12)19-11/h3-7H,2H2,1H3,(H,17,22)
InChIKeyBJFMJOVUIYXTOP-UHFFFAOYSA-N
XLogP0.33
TPSA120.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate with MolForge

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Related Compounds

ethyl 7-chloro-4-oxo-8-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10570475
ethyl 4-methyl-3,5-bis(1,2,4-triazol-4-yl)benzoate
CID 56737296
ethyl 6,7-dimethyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 137004177
ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
CID 18008890
ethyl 8-chloro-1-methyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 23206416
ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate
CID 23206472
ethyl 4-[[3-(1,2,4-triazol-4-yl)benzoyl]amino]benzoate
CID 6460869
(2-ethoxycarbonyl-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)boronic acid
CID 171855297
ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate
CID 23206474
ethyl 7-bromo-3-oxo-4H-quinoxaline-2-carboxylate
CID 18369213
2-methyl-5-(1,2,4-triazol-4-yl)benzamide
CID 68605701
ethyl 4-bromo-3-(1,2,4-triazol-4-yl)benzoate
CID 56737246

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (CID 11001900) is ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is CCOC(=O)c1nc2c(=O)[nH]c3cc(-n4cnnc4)ccc3n2n1.
What is the InChIKey of ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The InChIKey is BJFMJOVUIYXTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O3/c1-2-24-14(23)11-18-12-13(22)17-9-5-8(20-6-15-16-7-20)3-4-10(9)21(12)19-11/h3-7H,2H2,1H3,(H,17,22).
What are the key properties of ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate has a molecular weight of 325.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-7-(1,2,4-triazol-4-yl)-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 11001900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).