1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione

C10H6N4O2 — CID 5381995

IUPAC1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione
SMILESO=c1[nH]c2nc3ccccc3nc2[nH]c1=O
InChIInChI=1S/C10H6N4O2/c15-9-10(16)14-8-7(13-9)11-5-3-1-2-4-6(5)12-8/h1-4H,(H,11,13,15)(H,12,14,16)
InChIKeyLESSCAUCDFQASR-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.16
Rot. Bonds

About 1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione

1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione (PubChem CID 5381995) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione
PubChem CID5381995
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione
SMILESO=c1[nH]c2nc3ccccc3nc2[nH]c1=O
InChIInChI=1S/C10H6N4O2/c15-9-10(16)14-8-7(13-9)11-5-3-1-2-4-6(5)12-8/h1-4H,(H,11,13,15)(H,12,14,16)
InChIKeyLESSCAUCDFQASR-UHFFFAOYSA-N
XLogP0.16
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione?
The IUPAC name of 1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione (CID 5381995) is 1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione.
What is the SMILES notation for 1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione?
The canonical SMILES for 1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione is O=c1[nH]c2nc3ccccc3nc2[nH]c1=O.
What is the InChIKey of 1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione?
The InChIKey is LESSCAUCDFQASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c15-9-10(16)14-8-7(13-9)11-5-3-1-2-4-6(5)12-8/h1-4H,(H,11,13,15)(H,12,14,16).
What are the key properties of 1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione?
1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione has a molecular weight of 214.18 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione is sourced from PubChem (CID 5381995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).