2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one

C12H14F3N3O2 — CID 126851060

IUPAC2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-3-6-17(7-4-9)11(20)8-18-10(19)2-1-5-16-18/h1-2,5,9H,3-4,6-8H2
InChIKeyZKISIMHGKUHCGU-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.04
Rot. Bonds2

About 2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one

2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126851060) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one
PubChem CID126851060
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)9-3-6-17(7-4-9)11(20)8-18-10(19)2-1-5-16-18/h1-2,5,9H,3-4,6-8H2
InChIKeyZKISIMHGKUHCGU-UHFFFAOYSA-N
XLogP1.04
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730
2-[2-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 124760925
2-[2-oxo-2-[(3S)-3-pyridin-4-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 124892826
2-[2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 154831210
2-(2-cyclopentyl-2-oxoethyl)pyridazin-3-one
CID 104751389
2-[2-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121162619
2-[2-oxo-2-(3-phenylazepan-1-yl)ethyl]pyridazin-3-one
CID 121146184
2-[2-oxo-2-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]ethyl]pyridazin-3-one
CID 100622926
2-[2-oxo-2-[3-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 139023048
2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 122337316
2-[2-oxo-2-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]pyridazin-3-one
CID 121178227
2-[2-(2-methyl-1,3-thiazolidin-3-yl)-2-oxoethyl]pyridazin-3-one
CID 122331787

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one (CID 126851060) is 2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is ZKISIMHGKUHCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)9-3-6-17(7-4-9)11(20)8-18-10(19)2-1-5-16-18/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one?
2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 289.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126851060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).