6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile

C14H16N4O — CID 84635970

IUPAC6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile
SMILESCCN1CC2CNCC(=O)N2c2cc(C#N)ccc21
InChIInChI=1S/C14H16N4O/c1-2-17-9-11-7-16-8-14(19)18(11)13-5-10(6-15)3-4-12(13)17/h3-5,11,16H,2,7-9H2,1H3
InChIKeyFZZDBNULQHLSLQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.70
Rot. Bonds1

About 6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile

6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile (PubChem CID 84635970) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile.

Molecular Properties

Compound Name6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile
PubChem CID84635970
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile
SMILESCCN1CC2CNCC(=O)N2c2cc(C#N)ccc21
InChIInChI=1S/C14H16N4O/c1-2-17-9-11-7-16-8-14(19)18(11)13-5-10(6-15)3-4-12(13)17/h3-5,11,16H,2,7-9H2,1H3
InChIKeyFZZDBNULQHLSLQ-UHFFFAOYSA-N
XLogP0.70
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile?
The IUPAC name of 6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile (CID 84635970) is 6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile.
What is the SMILES notation for 6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile?
The canonical SMILES for 6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile is CCN1CC2CNCC(=O)N2c2cc(C#N)ccc21.
What is the InChIKey of 6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile?
The InChIKey is FZZDBNULQHLSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-17-9-11-7-16-8-14(19)18(11)13-5-10(6-15)3-4-12(13)17/h3-5,11,16H,2,7-9H2,1H3.
What are the key properties of 6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile?
6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-oxo-3,4,4a,5-tetrahydro-2H-pyrazino[1,2-a]quinoxaline-9-carbonitrile is sourced from PubChem (CID 84635970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).