4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one

C18H16N2O3 — CID 101246039

IUPAC4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cn[nH]c(=O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-14-7-3-12(4-8-14)16-11-19-20-18(21)17(16)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,20,21)
InChIKeyCKUORBNLFGCODJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.12
Rot. Bonds4

About 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one

4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one (PubChem CID 101246039) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one
PubChem CID101246039
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cn[nH]c(=O)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-14-7-3-12(4-8-14)16-11-19-20-18(21)17(16)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,20,21)
InChIKeyCKUORBNLFGCODJ-UHFFFAOYSA-N
XLogP3.12
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methylphenyl)-4-phenyl-1H-pyridazin-6-one;yttrium
CID 58714115
[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 105423037
5-methoxy-2-[4-(4-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 945537
[4-[5-(4-chlorophenyl)-6-oxo-1H-pyridazin-4-yl]phenyl]methanesulfinate
CID 174375147
4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 68573583
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 165345881
3-bromo-4-[3-bromo-5-(4-methoxyphenyl)-4-pyridinyl]-5-(4-methoxyphenyl)pyridine
CID 57342779
2-benzyl-4-(4-fluorophenyl)-5-(4-methoxyphenyl)pyridazin-3-one
CID 10221746
2-(aminomethyl)-5-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 84694529
3-hydroxy-2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-6-methylpyran-4-one
CID 146026429
3-(4-methoxyphenyl)-4-methylcyclobut-3-ene-1,2-dione
CID 14737857

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one (CID 101246039) is 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one is COc1ccc(-c2cn[nH]c(=O)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is CKUORBNLFGCODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-14-7-3-12(4-8-14)16-11-19-20-18(21)17(16)13-5-9-15(23-2)10-6-13/h3-11H,1-2H3,(H,20,21).
What are the key properties of 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one?
4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 308.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 101246039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).