2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one

C17H18FN3O3 — CID 90651450

IUPAC2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one
SMILESCc1cc(=O)n(CC(=O)N2CC(Oc3ccccc3F)C2)nc1C
InChIInChI=1S/C17H18FN3O3/c1-11-7-16(22)21(19-12(11)2)10-17(23)20-8-13(9-20)24-15-6-4-3-5-14(15)18/h3-7,13H,8-10H2,1-2H3
InChIKeyKBZDGTYLXINVIQ-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.29
Rot. Bonds4

About 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one

2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one (PubChem CID 90651450) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one
PubChem CID90651450
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one
SMILESCc1cc(=O)n(CC(=O)N2CC(Oc3ccccc3F)C2)nc1C
InChIInChI=1S/C17H18FN3O3/c1-11-7-16(22)21(19-12(11)2)10-17(23)20-8-13(9-20)24-15-6-4-3-5-14(15)18/h3-7,13H,8-10H2,1-2H3
InChIKeyKBZDGTYLXINVIQ-UHFFFAOYSA-N
XLogP1.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one?
The IUPAC name of 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one (CID 90651450) is 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one.
What is the SMILES notation for 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one?
The canonical SMILES for 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one is Cc1cc(=O)n(CC(=O)N2CC(Oc3ccccc3F)C2)nc1C.
What is the InChIKey of 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one?
The InChIKey is KBZDGTYLXINVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-7-16(22)21(19-12(11)2)10-17(23)20-8-13(9-20)24-15-6-4-3-5-14(15)18/h3-7,13H,8-10H2,1-2H3.
What are the key properties of 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one?
2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one has a molecular weight of 331.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]-5,6-dimethylpyridazin-3-one is sourced from PubChem (CID 90651450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).