9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione

C13H15N3O2 — CID 84631881

IUPAC9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
SMILESCCc1ccc2c(c1)N1C(=O)CNCC1C(=O)N2
InChIInChI=1S/C13H15N3O2/c1-2-8-3-4-9-10(5-8)16-11(13(18)15-9)6-14-7-12(16)17/h3-5,11,14H,2,6-7H2,1H3,(H,15,18)
InChIKeyDSCYUHFBBABORG-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.51
Rot. Bonds1

About 9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione

9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione (PubChem CID 84631881) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione.

Molecular Properties

Compound Name9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
PubChem CID84631881
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
SMILESCCc1ccc2c(c1)N1C(=O)CNCC1C(=O)N2
InChIInChI=1S/C13H15N3O2/c1-2-8-3-4-9-10(5-8)16-11(13(18)15-9)6-14-7-12(16)17/h3-5,11,14H,2,6-7H2,1H3,(H,15,18)
InChIKeyDSCYUHFBBABORG-UHFFFAOYSA-N
XLogP0.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione
CID 84637771
7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
CID 84631890
9-chloro-7-methyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
CID 84640070
9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione
CID 84633414
6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84637887
(3R)-3,7-diethyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 125440790
3-(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)piperidine-2,6-dione
CID 170614731
1,6-diethyl-4-methyl-3H-quinoxalin-2-one
CID 155066650
6-ethyl-2,2,4-trimethyl-1,3-dihydroquinoxaline
CID 84620438
6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile
CID 84635970
N-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3155458
3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one
CID 82238898

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
The IUPAC name of 9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione (CID 84631881) is 9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione.
What is the SMILES notation for 9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
The canonical SMILES for 9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione is CCc1ccc2c(c1)N1C(=O)CNCC1C(=O)N2.
What is the InChIKey of 9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
The InChIKey is DSCYUHFBBABORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-8-3-4-9-10(5-8)16-11(13(18)15-9)6-14-7-12(16)17/h3-5,11,14H,2,6-7H2,1H3,(H,15,18).
What are the key properties of 9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione has a molecular weight of 245.28 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione is sourced from PubChem (CID 84631881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).