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

C11H17N3O3 — CID 43613638

IUPAC3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1COCCN1C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H17N3O3/c1-2-8-7-17-6-5-14(8)11(16)9-3-4-10(15)13-12-9/h8H,2-7H2,1H3,(H,13,15)
InChIKeyCGPHEOWHGVJXEE-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.11
Rot. Bonds2

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

3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 43613638) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID43613638
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCC1COCCN1C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C11H17N3O3/c1-2-8-7-17-6-5-14(8)11(16)9-3-4-10(15)13-12-9/h8H,2-7H2,1H3,(H,13,15)
InChIKeyCGPHEOWHGVJXEE-UHFFFAOYSA-N
XLogP-0.11
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Related Compounds

N-methyl-4-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)morpholine-3-carboxamide
CID 83103068
6-(3-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107262017
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
(6-bromo-3-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 66464852
2-(3-ethylmorpholine-4-carbonyl)-3,6-dimethylbenzoic acid
CID 103428878
2-(3-ethylmorpholine-4-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 116696729
(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone
CID 70772303
(3,6-dichloro-2-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613155
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640
(2-amino-5-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611588

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 43613638) is 3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is CCC1COCCN1C(=O)C1=NNC(=O)CC1.
What is the InChIKey of 3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is CGPHEOWHGVJXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-8-7-17-6-5-14(8)11(16)9-3-4-10(15)13-12-9/h8H,2-7H2,1H3,(H,13,15).
What are the key properties of 3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 239.27 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 43613638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).