3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one

C9H13N3O2 — CID 121205033

IUPAC3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCCC(O)C2)n[nH]1
InChIInChI=1S/C9H13N3O2/c13-7-2-1-5-12(6-7)8-3-4-9(14)11-10-8/h3-4,7,13H,1-2,5-6H2,(H,11,14)
InChIKeyOWALWBITDJNZHM-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.27
Rot. Bonds1

About 3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one

3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one (PubChem CID 121205033) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one
PubChem CID121205033
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCCC(O)C2)n[nH]1
InChIInChI=1S/C9H13N3O2/c13-7-2-1-5-12(6-7)8-3-4-9(14)11-10-8/h3-4,7,13H,1-2,5-6H2,(H,11,14)
InChIKeyOWALWBITDJNZHM-UHFFFAOYSA-N
XLogP-0.27
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one (CID 121205033) is 3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one is O=c1ccc(N2CCCC(O)C2)n[nH]1.
What is the InChIKey of 3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is OWALWBITDJNZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-7-2-1-5-12(6-7)8-3-4-9(14)11-10-8/h3-4,7,13H,1-2,5-6H2,(H,11,14).
What are the key properties of 3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one?
3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 195.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 121205033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).