2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide

C23H23N5O6 — CID 166324631

IUPAC2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(COCCOc2ccccc2)c1)C(=O)N1CCn2c(n[nH]c(=O)c2=O)C1
InChIInChI=1S/C23H23N5O6/c29-20(22(31)27-9-10-28-19(14-27)25-26-21(30)23(28)32)24-17-6-4-5-16(13-17)15-33-11-12-34-18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,24,29)(H,26,30)
InChIKeyBJRHAGHEOBOGNA-UHFFFAOYSA-N
MW465.47 g/mol
LogP0.51
Rot. Bonds7

About 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide

2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide (PubChem CID 166324631) has the molecular formula C23H23N5O6 and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide
PubChem CID166324631
Molecular FormulaC23H23N5O6
Molecular Weight465.47 g/mol
Exact Mass465.16
IUPAC Name2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(COCCOc2ccccc2)c1)C(=O)N1CCn2c(n[nH]c(=O)c2=O)C1
InChIInChI=1S/C23H23N5O6/c29-20(22(31)27-9-10-28-19(14-27)25-26-21(30)23(28)32)24-17-6-4-5-16(13-17)15-33-11-12-34-18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,24,29)(H,26,30)
InChIKeyBJRHAGHEOBOGNA-UHFFFAOYSA-N
XLogP0.51
TPSA135.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide with MolForge

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Related Compounds

1-methyl-N-[3-(2-phenoxyethoxymethyl)phenyl]pyrazole-4-carboxamide
CID 87006781
N-[4-(4-cyanopyrazol-1-yl)phenyl]-2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxoacetamide
CID 167863317
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119723072
2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride
CID 120787393
(2S)-4-methyl-N-[3-(2-phenoxyethoxymethyl)phenyl]-2-propan-2-ylpiperazine-1-carboxamide
CID 97257381
(2R,3S)-2-methyl-N-[3-(2-phenoxyethoxymethyl)phenyl]morpholine-3-carboxamide
CID 120924219
N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119723062
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-(2-phenoxyethoxy)acetamide
CID 55761188
N-[3-(2-methoxyethoxymethyl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 51118836
N-[3-(2-phenoxyethoxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936766
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 47050346
2-(4-benzylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 44902030

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide (CID 166324631) is 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide is O=C(Nc1cccc(COCCOc2ccccc2)c1)C(=O)N1CCn2c(n[nH]c(=O)c2=O)C1.
What is the InChIKey of 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide?
The InChIKey is BJRHAGHEOBOGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O6/c29-20(22(31)27-9-10-28-19(14-27)25-26-21(30)23(28)32)24-17-6-4-5-16(13-17)15-33-11-12-34-18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,24,29)(H,26,30).
What are the key properties of 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide?
2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide has a molecular weight of 465.47 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dioxo-2,6,7,9-tetrahydropyrazino[2,1-c][1,2,4]triazin-8-yl)-2-oxo-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide is sourced from PubChem (CID 166324631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).