5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one

C13H21N3O3 — CID 104920979

IUPAC5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
SMILESC[C@H](O)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C13H21N3O3/c1-10(17)8-16-12(18)6-11(7-14-16)15-4-5-19-13(2,3)9-15/h6-7,10,17H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKeyZPYAAQSCPOIWCK-JTQLQIEISA-N
MW267.33 g/mol
LogP0.24
Rot. Bonds3

About 5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one

5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one (PubChem CID 104920979) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
PubChem CID104920979
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
SMILESC[C@H](O)Cn1ncc(N2CCOC(C)(C)C2)cc1=O
InChIInChI=1S/C13H21N3O3/c1-10(17)8-16-12(18)6-11(7-14-16)15-4-5-19-13(2,3)9-15/h6-7,10,17H,4-5,8-9H2,1-3H3/t10-/m0/s1
InChIKeyZPYAAQSCPOIWCK-JTQLQIEISA-N
XLogP0.24
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-morpholino-2-(2-oxopropyl)-3(2H)-pyridazinone
CID 1479795
2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-(2-ethylbutyl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 56912171
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
2-[4-(2,2-Dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]-2-fluoroacetic acid
CID 114394130
[4-(2,2-Dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]methyl-trifluoroboranuide
CID 114398773
5-(Dimethylamino)-2-(3-fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165601120
2-(2-butyn-1-yl)-5-(4-morpholinyl)-3(2H)-pyridazinone
CID 30877097
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
5-Morpholin-4-yl-2-prop-2-enylpyridazin-3-one
CID 12550769
5-(dimethylamino)-2-[2-(4-morpholinyl)ethyl]-3(2H)-pyridazinone
CID 28311086
5-(dimethylamino)-2-(2-propoxyethyl)-3(2H)-pyridazinone
CID 28732206

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
The IUPAC name of 5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one (CID 104920979) is 5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one.
What is the SMILES notation for 5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
The canonical SMILES for 5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one is C[C@H](O)Cn1ncc(N2CCOC(C)(C)C2)cc1=O.
What is the InChIKey of 5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
The InChIKey is ZPYAAQSCPOIWCK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(17)8-16-12(18)6-11(7-14-16)15-4-5-19-13(2,3)9-15/h6-7,10,17H,4-5,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of 5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one?
5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one has a molecular weight of 267.33 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylmorpholin-4-yl)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one is sourced from PubChem (CID 104920979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).