6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

C16H13N5O3 — CID 11267262

IUPAC6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESCOc1ccc(-n2nc3c(=O)[nH]c4c(N)cccc4n3c2=O)cc1
InChIInChI=1S/C16H13N5O3/c1-24-10-7-5-9(6-8-10)21-16(23)20-12-4-2-3-11(17)13(12)18-15(22)14(20)19-21/h2-8H,17H2,1H3,(H,18,22)
InChIKeyJNPIRTYGCDDOMI-UHFFFAOYSA-N
MW323.31 g/mol
LogP0.92
Rot. Bonds2

About 6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (PubChem CID 11267262) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.

Molecular Properties

Compound Name6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
PubChem CID11267262
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESCOc1ccc(-n2nc3c(=O)[nH]c4c(N)cccc4n3c2=O)cc1
InChIInChI=1S/C16H13N5O3/c1-24-10-7-5-9(6-8-10)21-16(23)20-12-4-2-3-11(17)13(12)18-15(22)14(20)19-21/h2-8H,17H2,1H3,(H,18,22)
InChIKeyJNPIRTYGCDDOMI-UHFFFAOYSA-N
XLogP0.92
TPSA107.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 50.92
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

N-(8-aminooctyl)-N'-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butanediamide
CID 57325782
2-(4-Hydroxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 10040075
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
6-Amino-2-(4-hydroxy-phenyl)-2H,5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 11162647
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
4-Amino-2-(4-ethoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11244144
4,6-Diamino-2-(4-methoxy-phenyl)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 11290216
2-(4-methoxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxaline-1,4(2H,5H)-dione
CID 11348760
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 6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The IUPAC name of 6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (CID 11267262) is 6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.
What is the SMILES notation for 6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The canonical SMILES for 6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is COc1ccc(-n2nc3c(=O)[nH]c4c(N)cccc4n3c2=O)cc1.
What is the InChIKey of 6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The InChIKey is JNPIRTYGCDDOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c1-24-10-7-5-9(6-8-10)21-16(23)20-12-4-2-3-11(17)13(12)18-15(22)14(20)19-21/h2-8H,17H2,1H3,(H,18,22).
What are the key properties of 6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione has a molecular weight of 323.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is sourced from PubChem (CID 11267262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).