3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C11H17N3O3 — CID 43420922

IUPAC3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CN(C(=O)C2=NNC(=O)CC2)C(C)CO1
InChIInChI=1S/C11H17N3O3/c1-7-6-17-8(2)5-14(7)11(16)9-3-4-10(15)13-12-9/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyWFHMXYGDPMNOQB-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.11
Rot. Bonds1

About 3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 43420922) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID43420922
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CN(C(=O)C2=NNC(=O)CC2)C(C)CO1
InChIInChI=1S/C11H17N3O3/c1-7-6-17-8(2)5-14(7)11(16)9-3-4-10(15)13-12-9/h7-8H,3-6H2,1-2H3,(H,13,15)
InChIKeyWFHMXYGDPMNOQB-UHFFFAOYSA-N
XLogP-0.11
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 43420922) is 3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is CC1CN(C(=O)C2=NNC(=O)CC2)C(C)CO1.
What is the InChIKey of 3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is WFHMXYGDPMNOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-6-17-8(2)5-14(7)11(16)9-3-4-10(15)13-12-9/h7-8H,3-6H2,1-2H3,(H,13,15).
What are the key properties of 3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 239.27 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 43420922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).