2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one

C13H21N3O3 — CID 104920981

IUPAC2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(C[C@H](C)O)c(=O)c2)CC1
InChIInChI=1S/C13H21N3O3/c1-10(17)9-16-13(18)7-11(8-14-16)15-5-3-12(19-2)4-6-15/h7-8,10,12,17H,3-6,9H2,1-2H3/t10-/m0/s1
InChIKeyHAHMSTYJZRUNNA-JTQLQIEISA-N
MW267.33 g/mol
LogP0.24
Rot. Bonds4

About 2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one

2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (PubChem CID 104920981) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
PubChem CID104920981
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn(C[C@H](C)O)c(=O)c2)CC1
InChIInChI=1S/C13H21N3O3/c1-10(17)9-16-13(18)7-11(8-14-16)15-5-3-12(19-2)4-6-15/h7-8,10,12,17H,3-6,9H2,1-2H3/t10-/m0/s1
InChIKeyHAHMSTYJZRUNNA-JTQLQIEISA-N
XLogP0.24
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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-Piperidin-1-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)pyridazin-3-one
CID 45200136
2-[(2S)-2,3-dihydroxypropyl]-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56889724
2-Fluoro-2-[4-(4-methoxypiperidin-1-yl)-6-oxopyridazin-1-yl]acetic acid
CID 114394142
Trifluoro-[[4-(4-methoxypiperidin-1-yl)-6-oxopyridazin-1-yl]methyl]boranuide
CID 114398776
5-(Dimethylamino)-2-(3-fluoro-2-hydroxypropyl)-2,3-dihydropyridazin-3-one
CID 165601120
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
2-(2,3-dihydroxypropyl)-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 56897302
2-(2-ethoxyethyl)-5-(1-piperidinyl)-3(2H)-pyridazinone
CID 56900434
5-(dimethylamino)-2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]pyridazin-3(2H)-one
CID 72917618
2-(1,4-dioxan-2-ylmethyl)-5-piperidin-1-ylpyridazin-3(2H)-one
CID 72934854
2-(2,3-Dihydroxypropyl)-5-piperidin-1-ylpyridazin-3-one
CID 76424722
2-[[(2R)-1,4-dioxan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97209570

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (CID 104920981) is 2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is COC1CCN(c2cnn(C[C@H](C)O)c(=O)c2)CC1.
What is the InChIKey of 2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The InChIKey is HAHMSTYJZRUNNA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(17)9-16-13(18)7-11(8-14-16)15-5-3-12(19-2)4-6-15/h7-8,10,12,17H,3-6,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one has a molecular weight of 267.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxypropyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 104920981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).