6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one

C17H21N3O3 — CID 3928376

IUPAC6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
SMILESCC1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC(C)O1
InChIInChI=1S/C17H21N3O3/c1-12-10-19(11-13(2)23-12)17(22)15-8-9-16(21)20(18-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRWUHLABFPOOQIR-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.81
Rot. Bonds2

About 6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one

6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 3928376) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
PubChem CID3928376
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
SMILESCC1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC(C)O1
InChIInChI=1S/C17H21N3O3/c1-12-10-19(11-13(2)23-12)17(22)15-8-9-16(21)20(18-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3
InChIKeyRWUHLABFPOOQIR-UHFFFAOYSA-N
XLogP1.81
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one (CID 3928376) is 6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one is CC1CN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is RWUHLABFPOOQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-10-19(11-13(2)23-12)17(22)15-8-9-16(21)20(18-15)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one?
6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 315.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3928376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).