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

C11H12F3N3O2 — CID 103709395

IUPAC3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-3-5-17(6-4-7)10(19)8-1-2-9(18)16-15-8/h1-2,7H,3-6H2,(H,16,18)
InChIKeyABJODGIZLTVQFF-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.18
Rot. Bonds1

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

3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 103709395) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID103709395
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-3-5-17(6-4-7)10(19)8-1-2-9(18)16-15-8/h1-2,7H,3-6H2,(H,16,18)
InChIKeyABJODGIZLTVQFF-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 103709395) is 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is ABJODGIZLTVQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)7-3-5-17(6-4-7)10(19)8-1-2-9(18)16-15-8/h1-2,7H,3-6H2,(H,16,18).
What are the key properties of 3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(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-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 103709395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).