2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione

C13H14BrN3O2 — CID 117002775

IUPAC2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
SMILESO=C1CN2C(=O)CNCC2CN1c1ccccc1Br
InChIInChI=1S/C13H14BrN3O2/c14-10-3-1-2-4-11(10)17-7-9-5-15-6-12(18)16(9)8-13(17)19/h1-4,9,15H,5-8H2
InChIKeyXYOQBAYBBWHKTE-UHFFFAOYSA-N
MW324.18 g/mol
LogP0.60
Rot. Bonds1

About 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione

2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione (PubChem CID 117002775) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione.

Molecular Properties

Compound Name2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
PubChem CID117002775
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
SMILESO=C1CN2C(=O)CNCC2CN1c1ccccc1Br
InChIInChI=1S/C13H14BrN3O2/c14-10-3-1-2-4-11(10)17-7-9-5-15-6-12(18)16(9)8-13(17)19/h1-4,9,15H,5-8H2
InChIKeyXYOQBAYBBWHKTE-UHFFFAOYSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione with MolForge

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Related Compounds

2-(4-methylphenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
CID 117002769
10-bromo-6-ethyl-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxalin-1-one
CID 84645296
1-(2-bromophenyl)-1,4-diazepane-2,5-dione
CID 64962319
4-(bromomethyl)-1-(2-bromophenyl)pyrrolidin-2-one
CID 168505744
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-(2-bromophenyl)pyrrolidin-2-one;hydrochloride
CID 120657752
8-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
CID 133057369
2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
CID 164590118
2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
CID 117002748
1-(2-bromo-4-methylphenyl)-2-oxo-1,4-diazepane-6-carboxylic acid
CID 84607636
1-(2-bromophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962438
5-(aminomethyl)-3-(2-bromophenyl)-1,3-oxazolidin-2-one
CID 82023132
(6R)-6-methyl-1-(2-methylphenyl)piperazin-2-one
CID 96582225

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
The IUPAC name of 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione (CID 117002775) is 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione.
What is the SMILES notation for 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
The canonical SMILES for 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione is O=C1CN2C(=O)CNCC2CN1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
The InChIKey is XYOQBAYBBWHKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c14-10-3-1-2-4-11(10)17-7-9-5-15-6-12(18)16(9)8-13(17)19/h1-4,9,15H,5-8H2.
What are the key properties of 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione?
2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione has a molecular weight of 324.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 117002775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).