4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C17H15N5O2 — CID 11244144

IUPAC4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCCOc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C17H15N5O2/c1-2-24-12-9-7-11(8-10-12)22-17(23)21-14-6-4-3-5-13(14)19-15(18)16(21)20-22/h3-10H,2H2,1H3,(H2,18,19)
InChIKeyXXZPOZVQJVJPCR-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.01
Rot. Bonds3

About 4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 11244144) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID11244144
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCCOc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C17H15N5O2/c1-2-24-12-9-7-11(8-10-12)22-17(23)21-14-6-4-3-5-13(14)19-15(18)16(21)20-22/h3-10H,2H2,1H3,(H2,18,19)
InChIKeyXXZPOZVQJVJPCR-UHFFFAOYSA-N
XLogP2.01
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(8-aminooctyl)-N'-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butanediamide
CID 57325782
4-(4-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3705004
5-methyl-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 1481850
2-(4-Methoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 10040914
4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
CID 10709852
1-(4-Methoxy-phenyl)-3-(1-oxo-2-phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-urea
CID 10741090
2-(4-Ethoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 11163042
[4-(1,4-dioxo-5H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)phenyl] acetate
CID 11163483
6-Amino-2-(4-methoxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 11267262
4,6-Diamino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11290216
4-Amino-2-(4-hydroxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11335341
N-(6-amino-2-(4-methoxyphenyl)-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
CID 11595710

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 11244144) is 4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is CCOc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1.
What is the InChIKey of 4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is XXZPOZVQJVJPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-2-24-12-9-7-11(8-10-12)22-17(23)21-14-6-4-3-5-13(14)19-15(18)16(21)20-22/h3-10H,2H2,1H3,(H2,18,19).
What are the key properties of 4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 321.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 11244144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).