3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one

C11H17N3O — CID 129496792

IUPAC3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one
SMILESC[C@@H]1CCC[C@H](C)N1c1ccc(=O)[nH]n1
InChIInChI=1S/C11H17N3O/c1-8-4-3-5-9(2)14(8)10-6-7-11(15)13-12-10/h6-9H,3-5H2,1-2H3,(H,13,15)/t8-,9+
InChIKeyBPZLHHIRAOFPMA-DTORHVGOSA-N
MW207.28 g/mol
LogP1.54
Rot. Bonds1

About 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one

3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 129496792) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one
PubChem CID129496792
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one
SMILESC[C@@H]1CCC[C@H](C)N1c1ccc(=O)[nH]n1
InChIInChI=1S/C11H17N3O/c1-8-4-3-5-9(2)14(8)10-6-7-11(15)13-12-10/h6-9H,3-5H2,1-2H3,(H,13,15)/t8-,9+
InChIKeyBPZLHHIRAOFPMA-DTORHVGOSA-N
XLogP1.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one (CID 129496792) is 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one is C[C@@H]1CCC[C@H](C)N1c1ccc(=O)[nH]n1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is BPZLHHIRAOFPMA-DTORHVGOSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-4-3-5-9(2)14(8)10-6-7-11(15)13-12-10/h6-9H,3-5H2,1-2H3,(H,13,15)/t8-,9+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one?
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 129496792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).