6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one

C24H28N4O2 — CID 2008524

IUPAC6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
SMILESCc1ccc(C)c(N2CCN(C(=O)C3=CCC(=O)N(c4ccccc4C)N3)CC2)c1
InChIInChI=1S/C24H28N4O2/c1-17-8-9-19(3)22(16-17)26-12-14-27(15-13-26)24(30)20-10-11-23(29)28(25-20)21-7-5-4-6-18(21)2/h4-10,16,25H,11-15H2,1-3H3
InChIKeyZMCIYVYYGICIIK-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.09
Rot. Bonds3

About 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one

6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one (PubChem CID 2008524) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
PubChem CID2008524
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
SMILESCc1ccc(C)c(N2CCN(C(=O)C3=CCC(=O)N(c4ccccc4C)N3)CC2)c1
InChIInChI=1S/C24H28N4O2/c1-17-8-9-19(3)22(16-17)26-12-14-27(15-13-26)24(30)20-10-11-23(29)28(25-20)21-7-5-4-6-18(21)2/h4-10,16,25H,11-15H2,1-3H3
InChIKeyZMCIYVYYGICIIK-UHFFFAOYSA-N
XLogP3.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2021300
6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2028193
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2035383
2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2018085
6-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2002838
6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2010571
N-(4-bromophenyl)-2-(2-methylphenyl)-3-oxo-1,4-dihydropyridazine-6-carboxamide
CID 2009642
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
2-(3-methylphenyl)-6-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2007460
[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
CID 23102337
6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2013733
2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4883772

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one (CID 2008524) is 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one is Cc1ccc(C)c(N2CCN(C(=O)C3=CCC(=O)N(c4ccccc4C)N3)CC2)c1.
What is the InChIKey of 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
The InChIKey is ZMCIYVYYGICIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-8-9-19(3)22(16-17)26-12-14-27(15-13-26)24(30)20-10-11-23(29)28(25-20)21-7-5-4-6-18(21)2/h4-10,16,25H,11-15H2,1-3H3.
What are the key properties of 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one?
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one has a molecular weight of 404.51 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 2008524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).