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

C24H26N4O2 — CID 39712553

IUPAC2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
SMILESCc1ccccc1CN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1
InChIInChI=1S/C24H26N4O2/c1-19-7-5-6-10-21(19)18-26-13-15-27(16-14-26)24(30)22-11-12-23(29)28(25-22)17-20-8-3-2-4-9-20/h2-12H,13-18H2,1H3
InChIKeyRFZZMLDLJZONHJ-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.56
Rot. Bonds5

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

2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one (PubChem CID 39712553) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
PubChem CID39712553
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one
SMILESCc1ccccc1CN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1
InChIInChI=1S/C24H26N4O2/c1-19-7-5-6-10-21(19)18-26-13-15-27(16-14-26)24(30)22-11-12-23(29)28(25-22)17-20-8-3-2-4-9-20/h2-12H,13-18H2,1H3
InChIKeyRFZZMLDLJZONHJ-UHFFFAOYSA-N
XLogP2.56
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]pyridazin-3-one
CID 134021721
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942
2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
CID 119403547
2-benzyl-6-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazine-1-carbonyl]pyridazin-3-one
CID 86877419
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
2-benzyl-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 112763043
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
1-(1-benzyl-6-oxopyridazine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256456
(4-chloro-2-pyridinyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 43019993
2-benzyl-6-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]pyridazin-3-one
CID 9415255
[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19327249
1-benzyl-N-(2-ethyl-6-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 4815678

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one (CID 39712553) is 2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one is Cc1ccccc1CN1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1.
What is the InChIKey of 2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one?
The InChIKey is RFZZMLDLJZONHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-19-7-5-6-10-21(19)18-26-13-15-27(16-14-26)24(30)22-11-12-23(29)28(25-22)17-20-8-3-2-4-9-20/h2-12H,13-18H2,1H3.
What are the key properties of 2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one?
2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one has a molecular weight of 402.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 39712553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).