7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

C13H17N3O — CID 84626661

IUPAC7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
SMILESCc1ccc2c(c1C)NC(=O)C1CNCCN21
InChIInChI=1S/C13H17N3O/c1-8-3-4-10-12(9(8)2)15-13(17)11-7-14-5-6-16(10)11/h3-4,11,14H,5-7H2,1-2H3,(H,15,17)
InChIKeyMRIJIBLAUHJVPQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.03
Rot. Bonds

About 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one

7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one (PubChem CID 84626661) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one.

Molecular Properties

Compound Name7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
PubChem CID84626661
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
SMILESCc1ccc2c(c1C)NC(=O)C1CNCCN21
InChIInChI=1S/C13H17N3O/c1-8-3-4-10-12(9(8)2)15-13(17)11-7-14-5-6-16(10)11/h3-4,11,14H,5-7H2,1-2H3,(H,15,17)
InChIKeyMRIJIBLAUHJVPQ-UHFFFAOYSA-N
XLogP1.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one with MolForge

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Related Compounds

7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
CID 84631890
7-chloro-9-methyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84634517
6-methyl-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one
CID 79966197
8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 80502449
N-methyl-9-oxo-1,6,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-5-carboxamide
CID 171471349
6,7,9-trimethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84632015
(10S)-4-fluoro-1,5,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one;hydrochloride
CID 167438879
7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 117002110
6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
CID 114240010
(10S)-4-fluoro-1,3,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one;hydrochloride
CID 167438965
(4aR)-9-chloro-8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 10017993
8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
CID 11687306

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The IUPAC name of 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one (CID 84626661) is 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one.
What is the SMILES notation for 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The canonical SMILES for 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one is Cc1ccc2c(c1C)NC(=O)C1CNCCN21.
What is the InChIKey of 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
The InChIKey is MRIJIBLAUHJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-3-4-10-12(9(8)2)15-13(17)11-7-14-5-6-16(10)11/h3-4,11,14H,5-7H2,1-2H3,(H,15,17).
What are the key properties of 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one?
7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one has a molecular weight of 231.30 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one is sourced from PubChem (CID 84626661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).