6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one

C18H17N3O — CID 40531976

IUPAC6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(Cc3ccccn3)n2)cc1
InChIInChI=1S/C18H17N3O/c1-2-14-6-8-15(9-7-14)17-10-11-18(22)21(20-17)13-16-5-3-4-12-19-16/h3-12H,2,13H2,1H3
InChIKeyHYPOAQMXDFWZKJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.92
Rot. Bonds4

About 6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one

6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one (PubChem CID 40531976) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
PubChem CID40531976
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESCCc1ccc(-c2ccc(=O)n(Cc3ccccn3)n2)cc1
InChIInChI=1S/C18H17N3O/c1-2-14-6-8-15(9-7-14)17-10-11-18(22)21(20-17)13-16-5-3-4-12-19-16/h3-12H,2,13H2,1H3
InChIKeyHYPOAQMXDFWZKJ-UHFFFAOYSA-N
XLogP2.92
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one (CID 40531976) is 6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one is CCc1ccc(-c2ccc(=O)n(Cc3ccccn3)n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The InChIKey is HYPOAQMXDFWZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-14-6-8-15(9-7-14)17-10-11-18(22)21(20-17)13-16-5-3-4-12-19-16/h3-12H,2,13H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one?
6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one has a molecular weight of 291.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 40531976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).