6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one

C21H23N3O — CID 7664936

IUPAC6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
SMILESO=c1ccc(-c2cccc3ccccc23)nn1CCN1CCCCC1
InChIInChI=1S/C21H23N3O/c25-21-12-11-20(19-10-6-8-17-7-2-3-9-18(17)19)22-24(21)16-15-23-13-4-1-5-14-23/h2-3,6-12H,1,4-5,13-16H2
InChIKeyLYBMWLABIYIFRT-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.55
Rot. Bonds4

About 6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one

6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one (PubChem CID 7664936) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
PubChem CID7664936
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one
SMILESO=c1ccc(-c2cccc3ccccc23)nn1CCN1CCCCC1
InChIInChI=1S/C21H23N3O/c25-21-12-11-20(19-10-6-8-17-7-2-3-9-18(17)19)22-24(21)16-15-23-13-4-1-5-14-23/h2-3,6-12H,1,4-5,13-16H2
InChIKeyLYBMWLABIYIFRT-UHFFFAOYSA-N
XLogP3.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one (CID 7664936) is 6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one is O=c1ccc(-c2cccc3ccccc23)nn1CCN1CCCCC1.
What is the InChIKey of 6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
The InChIKey is LYBMWLABIYIFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c25-21-12-11-20(19-10-6-8-17-7-2-3-9-18(17)19)22-24(21)16-15-23-13-4-1-5-14-23/h2-3,6-12H,1,4-5,13-16H2.
What are the key properties of 6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one?
6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one has a molecular weight of 333.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 7664936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).