3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

C11H12F3N3O2 — CID 35433907

IUPAC3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-5-17(6-7)10(19)8-3-4-9(18)16-15-8/h3-4,7H,1-2,5-6H2,(H,16,18)/t7-/m0/s1
InChIKeyPQLJPSFJAXYRMP-ZETCQYMHSA-N
MW275.23 g/mol
LogP1.18
Rot. Bonds1

About 3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 35433907) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID35433907
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-5-17(6-7)10(19)8-3-4-9(18)16-15-8/h3-4,7H,1-2,5-6H2,(H,16,18)/t7-/m0/s1
InChIKeyPQLJPSFJAXYRMP-ZETCQYMHSA-N
XLogP1.18
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 4369642
6-(3,5-Dimethylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
CID 42910131
3-[4-(3-methylbutyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 45827987
3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one
CID 163237891
3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35433902
1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 36945824
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 45795256
2-Propyl-6-[3-(trifluoromethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45799636
3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 47143847
1-(1-methyl-6-oxo-1,6-dihydropyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722659
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

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 35433907) is 3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of 3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is PQLJPSFJAXYRMP-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)7-2-1-5-17(6-7)10(19)8-3-4-9(18)16-15-8/h3-4,7H,1-2,5-6H2,(H,16,18)/t7-/m0/s1.
What are the key properties of 3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 275.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 35433907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).