5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one

C17H18ClF3N4O — CID 138471566

IUPAC5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(C(CC(F)(F)F)c3ccccc3)CC2)c1Cl
InChIInChI=1S/C17H18ClF3N4O/c18-15-14(11-22-23-16(15)26)25-8-6-24(7-9-25)13(10-17(19,20)21)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,23,26)
InChIKeyVZHIAZCXJMOYHK-UHFFFAOYSA-N
MW386.81 g/mol
LogP3.24
Rot. Bonds4

About 5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138471566) has the molecular formula C17H18ClF3N4O and a molecular weight of 386.81 g/mol. Its IUPAC name is 5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138471566
Molecular FormulaC17H18ClF3N4O
Molecular Weight386.81 g/mol
Exact Mass386.11
IUPAC Name5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(C(CC(F)(F)F)c3ccccc3)CC2)c1Cl
InChIInChI=1S/C17H18ClF3N4O/c18-15-14(11-22-23-16(15)26)25-8-6-24(7-9-25)13(10-17(19,20)21)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,23,26)
InChIKeyVZHIAZCXJMOYHK-UHFFFAOYSA-N
XLogP3.24
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 53.24
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
5-(4-benzyl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
CID 734445
4-chloro-2-methyl-5-[[(3R,5R)-1-methyl-5-phenylpiperidin-3-yl]amino]pyridazin-3-one
CID 137646779
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
5-(4-benzhydryl-1-piperazinyl)-4-chloro-3(2H)-pyridazinone
CID 993406
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
6-oxo-4-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazine-5-carbonitrile
CID 138471823
4-Bromo-5-[4-[(4-fluoro-2-methylphenyl)methyl]-1-piperazinyl]-3(2H)-pyridazinone
CID 138472335

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one (CID 138471566) is 5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(C(CC(F)(F)F)c3ccccc3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is VZHIAZCXJMOYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N4O/c18-15-14(11-22-23-16(15)26)25-8-6-24(7-9-25)13(10-17(19,20)21)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,23,26).
What are the key properties of 5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 386.81 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138471566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).