1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one

C17H17N7O2 — CID 90100153

IUPAC1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one
SMILESCOCCN1c2nccnc2N(c2ccccc2)C(=O)C1c1ncn[nH]1
InChIInChI=1S/C17H17N7O2/c1-26-10-9-23-13(14-20-11-21-22-14)17(25)24(12-5-3-2-4-6-12)16-15(23)18-7-8-19-16/h2-8,11,13H,9-10H2,1H3,(H,20,21,22)
InChIKeyDYBMCIMEPCLZQV-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.47
Rot. Bonds5

About 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one

1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one (PubChem CID 90100153) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one
PubChem CID90100153
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one
SMILESCOCCN1c2nccnc2N(c2ccccc2)C(=O)C1c1ncn[nH]1
InChIInChI=1S/C17H17N7O2/c1-26-10-9-23-13(14-20-11-21-22-14)17(25)24(12-5-3-2-4-6-12)16-15(23)18-7-8-19-16/h2-8,11,13H,9-10H2,1H3,(H,20,21,22)
InChIKeyDYBMCIMEPCLZQV-UHFFFAOYSA-N
XLogP1.47
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4R)-1-(4-fluorophenyl)-3-(2-methoxyethyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 7324044
N-(3-fluorophenyl)-2-[(4R)-3-(2-methoxyethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 7340940
6-benzyl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881451
(4Z)-4-[hydroxy(naphthalen-1-yl)methylidene]-1-(2-methoxyethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625056
2-[3-(3-methoxypropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetic acid
CID 18801819
(3S,4R)-3-(2-chloroethyl)-1-(2-methoxyethyl)-4-phenylazetidin-2-one
CID 46856404
(4S)-5-(2-methoxyethyl)-3-(3-methoxyphenyl)-4-pyridin-2-yl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 42536706
(4Z)-4-[(3,4-dichlorophenyl)-hydroxymethylidene]-1-(2-methoxyethyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 108625061
1-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 131916496
(5R)-5-(4-fluorophenyl)-4-[hydroxy(phenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 7065493
(5aR,8aS)-7-phenyl-5-propyl-8a,9-dihydro-5aH-pyrrolo[3,4-b][1,5]naphthyridine-6,8-dione
CID 15307121
2-[(4S)-3-(2-methoxyethyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40520463

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one?
The IUPAC name of 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one (CID 90100153) is 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one?
The canonical SMILES for 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one is COCCN1c2nccnc2N(c2ccccc2)C(=O)C1c1ncn[nH]1.
What is the InChIKey of 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one?
The InChIKey is DYBMCIMEPCLZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-26-10-9-23-13(14-20-11-21-22-14)17(25)24(12-5-3-2-4-6-12)16-15(23)18-7-8-19-16/h2-8,11,13H,9-10H2,1H3,(H,20,21,22).
What are the key properties of 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one?
1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one has a molecular weight of 351.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4-phenyl-2-(1H-1,2,4-triazol-5-yl)-2H-pyrazino[2,3-b]pyrazin-3-one is sourced from PubChem (CID 90100153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).