3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C11H14F3N3O2 — CID 65532419

IUPAC3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESC1CN(CCC1C(F)(F)F)C(=O)C2=NNC(=O)CC2
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)7-3-5-17(6-4-7)10(19)8-1-2-9(18)16-15-8/h7H,1-6H2,(H,16,18)
InChIKeyXHUQXHXMJNIRCM-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.70
Rot. Bonds1

About 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 65532419) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID65532419
Molecular FormulaC11H14F3N3O2
Molecular Weight277.24 g/mol
Exact Mass277.10
IUPAC Name3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESC1CN(CCC1C(F)(F)F)C(=O)C2=NNC(=O)CC2
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)7-3-5-17(6-4-7)10(19)8-1-2-9(18)16-15-8/h7H,1-6H2,(H,16,18)
InChIKeyXHUQXHXMJNIRCM-UHFFFAOYSA-N
XLogP0.70
TPSA61.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity412

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-6-[3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 45802521
N-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54876874
N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 54876946
N-cyclopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 55009427
N-ethyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 55010148
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 60655820
3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 60712235
N-(1-cyclopropylethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60717535
N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60890284
6-oxo-N-propyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60958904
6-oxo-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60959739
6-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60960208

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 65532419) is 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is C1CN(CCC1C(F)(F)F)C(=O)C2=NNC(=O)CC2.
What is the InChIKey of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XHUQXHXMJNIRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)7-3-5-17(6-4-7)10(19)8-1-2-9(18)16-15-8/h7H,1-6H2,(H,16,18).
What are the key properties of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 277.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 65532419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).