9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione

C12H12FN3O2 — CID 84633414

IUPAC9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione
SMILESCN1C(=O)C2CNCC(=O)N2c2cc(F)ccc21
InChIInChI=1S/C12H12FN3O2/c1-15-8-3-2-7(13)4-9(8)16-10(12(15)18)5-14-6-11(16)17/h2-4,10,14H,5-6H2,1H3
InChIKeyUXASQXDCULALFH-UHFFFAOYSA-N
MW249.24 g/mol
LogP0.11
Rot. Bonds

About 9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione

9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione (PubChem CID 84633414) has the molecular formula C12H12FN3O2 and a molecular weight of 249.24 g/mol. Its IUPAC name is 9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione.

Molecular Properties

Compound Name9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione
PubChem CID84633414
Molecular FormulaC12H12FN3O2
Molecular Weight249.24 g/mol
Exact Mass249.09
IUPAC Name9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione
SMILESCN1C(=O)C2CNCC(=O)N2c2cc(F)ccc21
InChIInChI=1S/C12H12FN3O2/c1-15-8-3-2-7(13)4-9(8)16-10(12(15)18)5-14-6-11(16)17/h2-4,10,14H,5-6H2,1H3
InChIKeyUXASQXDCULALFH-UHFFFAOYSA-N
XLogP0.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione?
The IUPAC name of 9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione (CID 84633414) is 9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione.
What is the SMILES notation for 9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione?
The canonical SMILES for 9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione is CN1C(=O)C2CNCC(=O)N2c2cc(F)ccc21.
What is the InChIKey of 9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione?
The InChIKey is UXASQXDCULALFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-15-8-3-2-7(13)4-9(8)16-10(12(15)18)5-14-6-11(16)17/h2-4,10,14H,5-6H2,1H3.
What are the key properties of 9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione?
9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione has a molecular weight of 249.24 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione is sourced from PubChem (CID 84633414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).