2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one

C13H21N3O3 — CID 104920954

IUPAC2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCOCC(O)Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H21N3O3/c1-19-10-12(17)9-16-13(18)7-11(8-14-16)15-5-3-2-4-6-15/h7-8,12,17H,2-6,9-10H2,1H3
InChIKeyXQVIJNRLKCQSDJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.24
Rot. Bonds5

About 2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one

2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one (PubChem CID 104920954) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one
PubChem CID104920954
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one
SMILESCOCC(O)Cn1ncc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H21N3O3/c1-19-10-12(17)9-16-13(18)7-11(8-14-16)15-5-3-2-4-6-15/h7-8,12,17H,2-6,9-10H2,1H3
InChIKeyXQVIJNRLKCQSDJ-UHFFFAOYSA-N
XLogP0.24
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one (CID 104920954) is 2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one is COCC(O)Cn1ncc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is XQVIJNRLKCQSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-19-10-12(17)9-16-13(18)7-11(8-14-16)15-5-3-2-4-6-15/h7-8,12,17H,2-6,9-10H2,1H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one?
2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 267.33 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxypropyl)-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 104920954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).