3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one

C12H19N3O2 — CID 133446960

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CC(C)OC(C)C2)c1=O
InChIInChI=1S/C12H19N3O2/c1-4-14-6-5-13-11(12(14)16)15-7-9(2)17-10(3)8-15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyXBSAYGAGCCFIJH-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.88
Rot. Bonds2

About 3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one

3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one (PubChem CID 133446960) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one
PubChem CID133446960
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CC(C)OC(C)C2)c1=O
InChIInChI=1S/C12H19N3O2/c1-4-14-6-5-13-11(12(14)16)15-7-9(2)17-10(3)8-15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyXBSAYGAGCCFIJH-UHFFFAOYSA-N
XLogP0.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one (CID 133446960) is 3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one is CCn1ccnc(N2CC(C)OC(C)C2)c1=O.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one?
The InChIKey is XBSAYGAGCCFIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-14-6-5-13-11(12(14)16)15-7-9(2)17-10(3)8-15/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one?
3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one is sourced from PubChem (CID 133446960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).