3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one

C10H12F3N3O — CID 121205031

IUPAC3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCC(C(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-3-5-16(6-4-7)8-1-2-9(17)15-14-8/h1-2,7H,3-6H2,(H,15,17)
InChIKeyAZXONBDTFHCHSX-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.55
Rot. Bonds1

About 3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one

3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 121205031) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID121205031
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCC(C(F)(F)F)CC2)n[nH]1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-3-5-16(6-4-7)8-1-2-9(17)15-14-8/h1-2,7H,3-6H2,(H,15,17)
InChIKeyAZXONBDTFHCHSX-UHFFFAOYSA-N
XLogP1.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Piperidin-1-yl)pyridazin-3(2H)-one
CID 13274968
3-(2,2-difluoro-4,4-dimethyl-6-azaspiro[2.5]octan-6-yl)-1H-pyridazin-6-one
CID 156423964
3-piperidin-1-yl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 168249962
ethane;3-piperidin-1-yl-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 168249968
6-(4,4-Difluoropiperidin-1-yl)pyridazin-3-ol
CID 121205030
6-(4-Methylpiperidin-1-yl)pyridazin-3-ol
CID 10465204
6-(3,5-Dimethylpiperidin-1-yl)pyridazin-3-ol
CID 121205011
6-(3-Methylpiperidin-1-yl)pyridazin-3-ol
CID 121205019
1-(6-Hydroxypyridazin-3-yl)piperidine-4-carbonitrile
CID 121205967
1-(6-Hydroxypyridazin-3-yl)piperidine-4-carboxamide
CID 121205974
3-[(3R)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one
CID 129368412
3-[(3S)-3-methylpiperidin-1-yl]-1H-pyridazin-6-one
CID 129368413

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 121205031) is 3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one is O=c1ccc(N2CCC(C(F)(F)F)CC2)n[nH]1.
What is the InChIKey of 3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is AZXONBDTFHCHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)7-3-5-16(6-4-7)8-1-2-9(17)15-14-8/h1-2,7H,3-6H2,(H,15,17).
What are the key properties of 3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one?
3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one has a molecular weight of 247.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 121205031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).