5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one

C14H21N3O4 — CID 107507893

IUPAC5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C14H21N3O4/c1-14(2)10-16(4-5-21-14)11-6-13(19)17(15-7-11)8-12(18)9-20-3/h6-7H,4-5,8-10H2,1-3H3
InChIKeyYIBBBCYSTFMRPB-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.07
Rot. Bonds5

About 5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one

5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one (PubChem CID 107507893) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
PubChem CID107507893
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C14H21N3O4/c1-14(2)10-16(4-5-21-14)11-6-13(19)17(15-7-11)8-12(18)9-20-3/h6-7H,4-5,8-10H2,1-3H3
InChIKeyYIBBBCYSTFMRPB-UHFFFAOYSA-N
XLogP0.07
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
3(2H)-Pyridazinone, 2-allyl-4-ethoxy-5-morpholino-
CID 3057329
2-[4-(2,2-Dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]-2-fluoroacetic acid
CID 114394130
Ethyl 2-(4-morpholin-4-yl-6-oxopyridazin-1-yl)acetate
CID 12473884
2-methoxy-2-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56902549
2-methoxy-2-methyl-N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95716343
2-methoxy-2-methyl-N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95716344
5-(2,2-dimethylmorpholin-4-yl)-2-[(2R)-2-hydroxypropyl]pyridazin-3-one
CID 104920978
5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920979
5-(Dimethylamino)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one
CID 107507886
2-(3-Methoxy-2-oxopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 107507887
2-(3-Methoxy-2-oxopropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 107507888

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one (CID 107507893) is 5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one is COCC(=O)Cn1ncc(N2CCOC(C)(C)C2)cc1=O.
What is the InChIKey of 5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The InChIKey is YIBBBCYSTFMRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-14(2)10-16(4-5-21-14)11-6-13(19)17(15-7-11)8-12(18)9-20-3/h6-7H,4-5,8-10H2,1-3H3.
What are the key properties of 5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one has a molecular weight of 295.34 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylmorpholin-4-yl)-2-(3-methoxy-2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 107507893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).