3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one

C9H13N3O2 — CID 129497593

IUPAC3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCC[C@H](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)/t7-/m0/s1
InChIKeyOWALWBITDJNZHM-ZETCQYMHSA-N
MW195.22 g/mol
LogP-0.27
Rot. Bonds1

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

3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 129497593) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one
PubChem CID129497593
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCC[C@H](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)/t7-/m0/s1
InChIKeyOWALWBITDJNZHM-ZETCQYMHSA-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-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one (CID 129497593) is 3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one is O=c1ccc(N2CCC[C@H](O)C2)n[nH]1.
What is the InChIKey of 3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is OWALWBITDJNZHM-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of 3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one?
3-[(3S)-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-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 129497593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).