6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one

C18H16N2O2 — CID 59651906

IUPAC6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
SMILESCOc1ccc(-c2nn(C)c(=O)cc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-20-17(21)12-16(13-6-4-3-5-7-13)18(19-20)14-8-10-15(22-2)11-9-14/h3-12H,1-2H3
InChIKeyMNYJOGLPGPCSAQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.12
Rot. Bonds3

About 6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one

6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one (PubChem CID 59651906) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
PubChem CID59651906
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one
SMILESCOc1ccc(-c2nn(C)c(=O)cc2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-20-17(21)12-16(13-6-4-3-5-7-13)18(19-20)14-8-10-15(22-2)11-9-14/h3-12H,1-2H3
InChIKeyMNYJOGLPGPCSAQ-UHFFFAOYSA-N
XLogP3.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one (CID 59651906) is 6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one is COc1ccc(-c2nn(C)c(=O)cc2-c2ccccc2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one?
The InChIKey is MNYJOGLPGPCSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-20-17(21)12-16(13-6-4-3-5-7-13)18(19-20)14-8-10-15(22-2)11-9-14/h3-12H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one?
6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one has a molecular weight of 292.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-methyl-5-phenylpyridazin-3-one is sourced from PubChem (CID 59651906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).