2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one

C12H19N3O3 — CID 56889724

IUPAC2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1C[C@H](O)CO
InChIInChI=1S/C12H19N3O3/c16-9-11(17)8-15-12(18)6-10(7-13-15)14-4-2-1-3-5-14/h6-7,11,16-17H,1-5,8-9H2/t11-/m0/s1
InChIKeyMYSOSNNANBZJAH-NSHDSACASA-N
MW253.30 g/mol
LogP-0.41
Rot. Bonds4

About 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one

2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 56889724) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID56889724
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1C[C@H](O)CO
InChIInChI=1S/C12H19N3O3/c16-9-11(17)8-15-12(18)6-10(7-13-15)14-4-2-1-3-5-14/h6-7,11,16-17H,1-5,8-9H2/t11-/m0/s1
InChIKeyMYSOSNNANBZJAH-NSHDSACASA-N
XLogP-0.41
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
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-(2,3-dihydroxypropyl)-5-(4-methyl-1-piperazinyl)-3(2H)-pyridazinone
CID 56897302
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
2-[[(2S)-1,4-dioxan-2-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97209571
2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one
CID 102735284
2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
CID 102735292
5-(Dimethylamino)-2-(2-hydroxy-3-methoxypropyl)pyridazin-3-one
CID 104920952
2-(2-Hydroxy-3-methoxypropyl)-5-morpholin-4-ylpyridazin-3-one
CID 104920953
2-(2-Hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one
CID 104920954
2-(2-Hydroxy-3-methoxypropyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 104920955

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one (CID 56889724) is 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)cnn1C[C@H](O)CO.
What is the InChIKey of 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is MYSOSNNANBZJAH-NSHDSACASA-N. The full InChI is InChI=1S/C12H19N3O3/c16-9-11(17)8-15-12(18)6-10(7-13-15)14-4-2-1-3-5-14/h6-7,11,16-17H,1-5,8-9H2/t11-/m0/s1.
What are the key properties of 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one?
2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2,3-dihydroxypropyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 56889724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).