5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one

C22H24N2O3 — CID 10109377

IUPAC5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(CC(C)C)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-15(2)14-24-21(25)13-20(16-5-9-18(26-3)10-6-16)22(23-24)17-7-11-19(27-4)12-8-17/h5-13,15H,14H2,1-4H3
InChIKeyYTSNEAFXNQKJSA-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.25
Rot. Bonds6

About 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one

5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 10109377) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID10109377
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCOc1ccc(-c2cc(=O)n(CC(C)C)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H24N2O3/c1-15(2)14-24-21(25)13-20(16-5-9-18(26-3)10-6-16)22(23-24)17-7-11-19(27-4)12-8-17/h5-13,15H,14H2,1-4H3
InChIKeyYTSNEAFXNQKJSA-UHFFFAOYSA-N
XLogP4.25
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one (CID 10109377) is 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one is COc1ccc(-c2cc(=O)n(CC(C)C)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is YTSNEAFXNQKJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15(2)14-24-21(25)13-20(16-5-9-18(26-3)10-6-16)22(23-24)17-7-11-19(27-4)12-8-17/h5-13,15H,14H2,1-4H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one?
5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 364.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 10109377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).