3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one

C14H11F3N4O3 — CID 122251746

IUPAC3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H11F3N4O3/c15-14(16,17)10-2-1-3-12(18-10)24-8-6-21(7-8)13(23)9-4-5-11(22)20-19-9/h1-5,8H,6-7H2,(H,20,22)
InChIKeyIAZQWQVQNMDXMC-UHFFFAOYSA-N
MW340.26 g/mol
LogP1.09
Rot. Bonds3

About 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one

3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 122251746) has the molecular formula C14H11F3N4O3 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID122251746
Molecular FormulaC14H11F3N4O3
Molecular Weight340.26 g/mol
Exact Mass340.08
IUPAC Name3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CC(Oc2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H11F3N4O3/c15-14(16,17)10-2-1-3-12(18-10)24-8-6-21(7-8)13(23)9-4-5-11(22)20-19-9/h1-5,8H,6-7H2,(H,20,22)
InChIKeyIAZQWQVQNMDXMC-UHFFFAOYSA-N
XLogP1.09
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one with MolForge

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Related Compounds

1H-indol-3-yl-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251919
(4-bromophenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251830
(4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251806
5-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]pyran-2-one
CID 122251923
(5-bromo-3-pyridinyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251771
N,N-diethyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122252087
(4-phenoxyphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251942
(4-nitrophenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122251840
(4-methyl-1,3-thiazol-5-yl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122252031
(3-fluoro-4-methylphenyl)-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122252030
3-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 91625419
2-thiophen-2-yl-1-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]ethanone
CID 122251883

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one (CID 122251746) is 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CC(Oc2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is IAZQWQVQNMDXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O3/c15-14(16,17)10-2-1-3-12(18-10)24-8-6-21(7-8)13(23)9-4-5-11(22)20-19-9/h1-5,8H,6-7H2,(H,20,22).
What are the key properties of 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 340.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 122251746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).