2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one

C24H26N4O3 — CID 9415255

IUPAC2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1
InChIInChI=1S/C24H26N4O3/c1-2-31-22-11-7-6-10-21(22)26-14-16-27(17-15-26)24(30)20-12-13-23(29)28(25-20)18-19-8-4-3-5-9-19/h3-13H,2,14-18H2,1H3
InChIKeyZXAJQMJRZZVTGA-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.65
Rot. Bonds6

About 2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one

2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 9415255) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
PubChem CID9415255
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
SMILESCCOc1ccccc1N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1
InChIInChI=1S/C24H26N4O3/c1-2-31-22-11-7-6-10-21(22)26-14-16-27(17-15-26)24(30)20-12-13-23(29)28(25-20)18-19-8-4-3-5-9-19/h3-13H,2,14-18H2,1H3
InChIKeyZXAJQMJRZZVTGA-UHFFFAOYSA-N
XLogP2.65
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 112763043
2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721
2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
CID 119403547
2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-5-[(4-fluorophenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 46077184
2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
CID 39712553
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
(E)-3-(1-benzylpyrazol-4-yl)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 8966449
2-benzyl-6-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 112814496
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526
(1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 7494641
2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 121066958

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one (CID 9415255) is 2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one is CCOc1ccccc1N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1.
What is the InChIKey of 2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is ZXAJQMJRZZVTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-2-31-22-11-7-6-10-21(22)26-14-16-27(17-15-26)24(30)20-12-13-23(29)28(25-20)18-19-8-4-3-5-9-19/h3-13H,2,14-18H2,1H3.
What are the key properties of 2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one?
2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 418.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 9415255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).