6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one

C25H28N2O2 — CID 51363302

IUPAC6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
SMILESCc1cc(C)c(C(=O)Cn2nc(-c3ccc(CC(C)C)cc3)ccc2=O)c(C)c1
InChIInChI=1S/C25H28N2O2/c1-16(2)12-20-6-8-21(9-7-20)22-10-11-24(29)27(26-22)15-23(28)25-18(4)13-17(3)14-19(25)5/h6-11,13-14,16H,12,15H2,1-5H3
InChIKeyZUBJGMSVVZVCPG-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.92
Rot. Bonds6

About 6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one

6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one (PubChem CID 51363302) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
PubChem CID51363302
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
SMILESCc1cc(C)c(C(=O)Cn2nc(-c3ccc(CC(C)C)cc3)ccc2=O)c(C)c1
InChIInChI=1S/C25H28N2O2/c1-16(2)12-20-6-8-21(9-7-20)22-10-11-24(29)27(26-22)15-23(28)25-18(4)13-17(3)14-19(25)5/h6-11,13-14,16H,12,15H2,1-5H3
InChIKeyZUBJGMSVVZVCPG-UHFFFAOYSA-N
XLogP4.92
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363284
6-(4-chlorophenyl)-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 51363332
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 7663496
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 7659873
6-(3-chlorophenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]pyridazin-3-one
CID 51363271
2-[3-(3-methylphenyl)-6-oxopyridazin-1-yl]acetic acid
CID 56770636
2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 51100618
N-(3-oxo-1-phenylbutan-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 75479453
N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662383
N-(3-methylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7662380
N-(3,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052648
6-(3-chlorophenyl)-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]pyridazin-3-one
CID 51363277

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
The IUPAC name of 6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one (CID 51363302) is 6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one is Cc1cc(C)c(C(=O)Cn2nc(-c3ccc(CC(C)C)cc3)ccc2=O)c(C)c1.
What is the InChIKey of 6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
The InChIKey is ZUBJGMSVVZVCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-16(2)12-20-6-8-21(9-7-20)22-10-11-24(29)27(26-22)15-23(28)25-18(4)13-17(3)14-19(25)5/h6-11,13-14,16H,12,15H2,1-5H3.
What are the key properties of 6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one?
6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one has a molecular weight of 388.51 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropyl)phenyl]-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one is sourced from PubChem (CID 51363302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).