4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

C18H21FN4O — CID 138471767

IUPAC4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESC=Cc1cn[nH]c(=O)c1N1CCN(Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C18H21FN4O/c1-3-14-11-20-21-18(24)17(14)23-8-6-22(7-9-23)12-15-4-5-16(19)10-13(15)2/h3-5,10-11H,1,6-9,12H2,2H3,(H,21,24)
InChIKeyBOZKOWNZFWPFHG-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.18
Rot. Bonds4

About 4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138471767) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138471767
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESC=Cc1cn[nH]c(=O)c1N1CCN(Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C18H21FN4O/c1-3-14-11-20-21-18(24)17(14)23-8-6-22(7-9-23)12-15-4-5-16(19)10-13(15)2/h3-5,10-11H,1,6-9,12H2,2H3,(H,21,24)
InChIKeyBOZKOWNZFWPFHG-UHFFFAOYSA-N
XLogP2.18
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-(3-oxo-4-(2-(trifluoromethyl)benzyl)piperazin-1-yl)pyridazin-3(2H)-one
CID 138471783
N'-Benzylidene-2-(4-benzyl-1-piperazinyl)acetohydrazide
CID 6885304
5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
CID 734445
5-bromo-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138472116
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138472351
4-Chloro-5-[4-[(2,6-dimethylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483587
4-Chloro-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138483781
5-chloro-4-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483818
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 6885330
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6863186
4-Bromo-5-(4-(2-methylbenzyl)piperazin-1-yl)pyridazin-3(2H)-one
CID 17466271
5-bromo-4-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138471562

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138471767) is 4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is C=Cc1cn[nH]c(=O)c1N1CCN(Cc2ccc(F)cc2C)CC1.
What is the InChIKey of 4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is BOZKOWNZFWPFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-3-14-11-20-21-18(24)17(14)23-8-6-22(7-9-23)12-15-4-5-16(19)10-13(15)2/h3-5,10-11H,1,6-9,12H2,2H3,(H,21,24).
What are the key properties of 4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 328.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138471767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).