6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one

C15H21N3O — CID 84637887

IUPAC6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
SMILESCCc1ccc2c(c1)N(CC)C(=O)C1CNCCN21
InChIInChI=1S/C15H21N3O/c1-3-11-5-6-12-13(9-11)17(4-2)15(19)14-10-16-7-8-18(12)14/h5-6,9,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyULIDOXPWGYLXDG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.39
Rot. Bonds2

About 6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one

6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (PubChem CID 84637887) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one.

Molecular Properties

Compound Name6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
PubChem CID84637887
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
SMILESCCc1ccc2c(c1)N(CC)C(=O)C1CNCCN21
InChIInChI=1S/C15H21N3O/c1-3-11-5-6-12-13(9-11)17(4-2)15(19)14-10-16-7-8-18(12)14/h5-6,9,14,16H,3-4,7-8,10H2,1-2H3
InChIKeyULIDOXPWGYLXDG-UHFFFAOYSA-N
XLogP1.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-bromo-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84645293
10-chloro-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84640093
8-ethyl-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione
CID 84637771
10-ethyl-6-methyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84632006
9-ethyl-6-propan-2-yl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinoxaline
CID 84637933
2-benzyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
CID 78524206
(10bR)-9-ethyl-7-(hydroxymethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;(10bS)-9-ethyl-7-(hydroxymethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;dihydrochloride
CID 160920259
7-chloro-9-ethyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;ethene
CID 143031960
(10bR)-9-ethyl-7-propyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;(10bS)-9-ethyl-7-propyl-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one;dihydrochloride
CID 161449112
9-ethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
CID 84631881
9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 134420882
6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84632015

Frequently Asked Questions

What is the IUPAC name of 6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The IUPAC name of 6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one (CID 84637887) is 6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one.
What is the SMILES notation for 6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The canonical SMILES for 6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one is CCc1ccc2c(c1)N(CC)C(=O)C1CNCCN21.
What is the InChIKey of 6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
The InChIKey is ULIDOXPWGYLXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-11-5-6-12-13(9-11)17(4-2)15(19)14-10-16-7-8-18(12)14/h5-6,9,14,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one?
6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one has a molecular weight of 259.35 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one is sourced from PubChem (CID 84637887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).