2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one

C13H18F3N3O — CID 125142476

IUPAC2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCN1CCCC[C@@H]1CCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H18F3N3O/c1-18-8-3-2-4-10(18)7-9-19-12(20)6-5-11(17-19)13(14,15)16/h5-6,10H,2-4,7-9H2,1H3/t10-/m1/s1
InChIKeyWBQGUTPJBBMBTO-SNVBAGLBSA-N
MW289.30 g/mol
LogP2.14
Rot. Bonds3

About 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one

2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 125142476) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID125142476
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCN1CCCC[C@@H]1CCn1nc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H18F3N3O/c1-18-8-3-2-4-10(18)7-9-19-12(20)6-5-11(17-19)13(14,15)16/h5-6,10H,2-4,7-9H2,1H3/t10-/m1/s1
InChIKeyWBQGUTPJBBMBTO-SNVBAGLBSA-N
XLogP2.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N,1-dimethyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443192
6-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]-2-ethylpyridazin-3-one
CID 132360437
2-ethyl-6-[(2S)-2-(trifluoromethyl)azepane-1-carbonyl]pyridazin-3-one
CID 164630542
2-Propyl-6-[3-(trifluoromethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45799636
2-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 71967602
2-methyl-6-(2-(trifluoromethyl)piperidine-1-carbonyl)pyridazin-3(2H)-one
CID 92092426
2-propyl-6-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 93606941
2-propyl-6-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 93606942
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 97605866
2-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 97605867
2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 97605868
2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one
CID 99819152

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one (CID 125142476) is 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one is CN1CCCC[C@@H]1CCn1nc(C(F)(F)F)ccc1=O.
What is the InChIKey of 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is WBQGUTPJBBMBTO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-18-8-3-2-4-10(18)7-9-19-12(20)6-5-11(17-19)13(14,15)16/h5-6,10H,2-4,7-9H2,1H3/t10-/m1/s1.
What are the key properties of 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one?
2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 289.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 125142476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).