6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one

C13H19N3O3 — CID 121066845

IUPAC6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(=O)N2CC(C)OC(C)C2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-4-16-12(17)6-5-11(14-16)13(18)15-7-9(2)19-10(3)8-15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyQKKSOMIRGWNXHX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.51
Rot. Bonds2

About 6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one

6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one (PubChem CID 121066845) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
PubChem CID121066845
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one
SMILESCCn1nc(C(=O)N2CC(C)OC(C)C2)ccc1=O
InChIInChI=1S/C13H19N3O3/c1-4-16-12(17)6-5-11(14-16)13(18)15-7-9(2)19-10(3)8-15/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyQKKSOMIRGWNXHX-UHFFFAOYSA-N
XLogP0.51
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one?
The IUPAC name of 6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one (CID 121066845) is 6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one is CCn1nc(C(=O)N2CC(C)OC(C)C2)ccc1=O.
What is the InChIKey of 6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one?
The InChIKey is QKKSOMIRGWNXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-16-12(17)6-5-11(14-16)13(18)15-7-9(2)19-10(3)8-15/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one?
6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one has a molecular weight of 265.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholine-4-carbonyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 121066845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).