2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one

C13H19N3O3 — CID 121079642

IUPAC2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC1CN(C(=O)C(C)n2ncccc2=O)CC(C)O1
InChIInChI=1S/C13H19N3O3/c1-9-7-15(8-10(2)19-9)13(18)11(3)16-12(17)5-4-6-14-16/h4-6,9-11H,7-8H2,1-3H3
InChIKeyJCLRIUUFKDIQRT-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.44
Rot. Bonds2

About 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one

2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one (PubChem CID 121079642) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one
PubChem CID121079642
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC1CN(C(=O)C(C)n2ncccc2=O)CC(C)O1
InChIInChI=1S/C13H19N3O3/c1-9-7-15(8-10(2)19-9)13(18)11(3)16-12(17)5-4-6-14-16/h4-6,9-11H,7-8H2,1-3H3
InChIKeyJCLRIUUFKDIQRT-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The IUPAC name of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one (CID 121079642) is 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one.
What is the SMILES notation for 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The canonical SMILES for 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one is CC1CN(C(=O)C(C)n2ncccc2=O)CC(C)O1.
What is the InChIKey of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The InChIKey is JCLRIUUFKDIQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-7-15(8-10(2)19-9)13(18)11(3)16-12(17)5-4-6-14-16/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one?
2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one has a molecular weight of 265.31 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]pyridazin-3-one is sourced from PubChem (CID 121079642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).