3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine

C19H16F3N3O — CID 133419036

IUPAC3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CC(OCc3cccc4ccccc34)C2)nn1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)17-8-9-18(24-23-17)25-10-15(11-25)26-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,15H,10-12H2
InChIKeyAFOJBHVGIVPXMA-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.05
Rot. Bonds4

About 3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine

3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine (PubChem CID 133419036) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine
PubChem CID133419036
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(N2CC(OCc3cccc4ccccc34)C2)nn1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)17-8-9-18(24-23-17)25-10-15(11-25)26-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,15H,10-12H2
InChIKeyAFOJBHVGIVPXMA-UHFFFAOYSA-N
XLogP4.05
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine (CID 133419036) is 3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(N2CC(OCc3cccc4ccccc34)C2)nn1.
What is the InChIKey of 3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine?
The InChIKey is AFOJBHVGIVPXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-19(21,22)17-8-9-18(24-23-17)25-10-15(11-25)26-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,15H,10-12H2.
What are the key properties of 3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine?
3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine has a molecular weight of 359.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(naphthalen-1-ylmethoxy)azetidin-1-yl]-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 133419036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).