7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione

C13H15N3O2 — CID 84631890

IUPAC7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
SMILESCc1ccc2c(c1C)NC(=O)C1CNCC(=O)N21
InChIInChI=1S/C13H15N3O2/c1-7-3-4-9-12(8(7)2)15-13(18)10-5-14-6-11(17)16(9)10/h3-4,10,14H,5-6H2,1-2H3,(H,15,18)
InChIKeyOMDGRFDTITWHMT-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.56
Rot. Bonds

About 7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione

7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione (PubChem CID 84631890) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione.

Molecular Properties

Compound Name7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
PubChem CID84631890
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione
SMILESCc1ccc2c(c1C)NC(=O)C1CNCC(=O)N21
InChIInChI=1S/C13H15N3O2/c1-7-3-4-9-12(8(7)2)15-13(18)10-5-14-6-11(17)16(9)10/h3-4,10,14H,5-6H2,1-2H3,(H,15,18)
InChIKeyOMDGRFDTITWHMT-UHFFFAOYSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
The IUPAC name of 7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione (CID 84631890) is 7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione.
What is the SMILES notation for 7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
The canonical SMILES for 7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione is Cc1ccc2c(c1C)NC(=O)C1CNCC(=O)N21.
What is the InChIKey of 7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
The InChIKey is OMDGRFDTITWHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-7-3-4-9-12(8(7)2)15-13(18)10-5-14-6-11(17)16(9)10/h3-4,10,14H,5-6H2,1-2H3,(H,15,18).
What are the key properties of 7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione?
7,8-dimethyl-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 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3,4,4a,6-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-1,5-dione is sourced from PubChem (CID 84631890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).