benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

C17H12N4O3 — CID 11674151

IUPACbenzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESO=C(OCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1
InChIInChI=1S/C17H12N4O3/c22-16-15-19-14(17(23)24-10-11-6-2-1-3-7-11)20-21(15)13-9-5-4-8-12(13)18-16/h1-9H,10H2,(H,18,22)
InChIKeyINLXBALFEYITLX-UHFFFAOYSA-N
MW320.31 g/mol
LogP1.93
Rot. Bonds3

About benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate

benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (PubChem CID 11674151) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
PubChem CID11674151
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Namebenzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
SMILESO=C(OCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1
InChIInChI=1S/C17H12N4O3/c22-16-15-19-14(17(23)24-10-11-6-2-1-3-7-11)20-21(15)13-9-5-4-8-12(13)18-16/h1-9H,10H2,(H,18,22)
InChIKeyINLXBALFEYITLX-UHFFFAOYSA-N
XLogP1.93
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-oxo-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 10422626
Ethyl 8-methyl-4-oxo-4,5-dihydro-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylate
CID 11514585
4-Oxo-7-trifluoromethyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylic acid ethyl ester
CID 10639794
Benzyl 1,2,4-triazolo[1,5-c]quinazolin-5-one-2-carboxylate
CID 135750132
5-O-benzyl 3-O-methyl 1-phenyl-1,2,4-triazole-3,5-dicarboxylate
CID 102464990
Benzyl 1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylate
CID 25591264
Benzyl 2-[[1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]acetate
CID 51253407
Benzyl 2-[[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carbonyl]amino]acetate
CID 91643398
5-O-benzyl 3-O-methyl 1-(4-fluorophenyl)-1,2,4-triazole-3,5-dicarboxylate
CID 102464992
ethyl 7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate
CID 44121614
N-(2-ethoxyphenyl)-7-methyl-4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxamide
CID 46377785
Benzyl 6-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazoline-2-carboxylate
CID 13191662

Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The IUPAC name of benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate (CID 11674151) is benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate.
What is the SMILES notation for benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The canonical SMILES for benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is O=C(OCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1.
What is the InChIKey of benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
The InChIKey is INLXBALFEYITLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c22-16-15-19-14(17(23)24-10-11-6-2-1-3-7-11)20-21(15)13-9-5-4-8-12(13)18-16/h1-9H,10H2,(H,18,22).
What are the key properties of benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate?
benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate has a molecular weight of 320.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxo-5H-[1,2,4]triazolo[1,5-a]quinoxaline-2-carboxylate is sourced from PubChem (CID 11674151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).