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

C10H12F3N3O — CID 114393181

IUPAC4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1cc(N2CCCC(C(F)(F)F)C2)cn[nH]1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-3-16(6-7)8-4-9(17)15-14-5-8/h4-5,7H,1-3,6H2,(H,15,17)
InChIKeyWPTJLOPWNGIWRW-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.55
Rot. Bonds1

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

4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one (PubChem CID 114393181) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one
PubChem CID114393181
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one
SMILESO=c1cc(N2CCCC(C(F)(F)F)C2)cn[nH]1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-3-16(6-7)8-4-9(17)15-14-5-8/h4-5,7H,1-3,6H2,(H,15,17)
InChIKeyWPTJLOPWNGIWRW-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one (CID 114393181) is 4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one is O=c1cc(N2CCCC(C(F)(F)F)C2)cn[nH]1.
What is the InChIKey of 4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one?
The InChIKey is WPTJLOPWNGIWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-3-16(6-7)8-4-9(17)15-14-5-8/h4-5,7H,1-3,6H2,(H,15,17).
What are the key properties of 4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one?
4-[3-(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 4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 114393181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).