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

C16H19N3O3 — CID 110740947

IUPAC3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCOC(Cc3ccccc3)C2)=NN1
InChIInChI=1S/C16H19N3O3/c20-15-7-6-14(17-18-15)16(21)19-8-9-22-13(11-19)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,20)
InChIKeyNQJCITCZQCJURZ-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.72
Rot. Bonds3

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

3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 110740947) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID110740947
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCOC(Cc3ccccc3)C2)=NN1
InChIInChI=1S/C16H19N3O3/c20-15-7-6-14(17-18-15)16(21)19-8-9-22-13(11-19)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,20)
InChIKeyNQJCITCZQCJURZ-UHFFFAOYSA-N
XLogP0.72
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 132971327
3-[3-oxo-3-[2-(3-phenylpropyl)morpholin-4-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
CID 45242730
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286761
[(2R)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286762
(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
CID 71801610
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
CID 110643907
3-(2-benzylmorpholine-4-carbonyl)chromen-2-one
CID 110740953
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
3-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 61151183
3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
CID 56867974

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 110740947) is 3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCOC(Cc3ccccc3)C2)=NN1.
What is the InChIKey of 3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is NQJCITCZQCJURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15-7-6-14(17-18-15)16(21)19-8-9-22-13(11-19)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,20).
What are the key properties of 3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 301.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 110740947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).