3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one

C19H20F3N3O3 — CID 24539861

IUPAC3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CC(C)OC(C)C2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O3/c1-11-8-16(26)17(18(27)24-9-12(2)28-13(3)10-24)23-25(11)15-7-5-4-6-14(15)19(20,21)22/h4-8,12-13H,9-10H2,1-3H3
InChIKeyCYWGLKUGOJCWQS-UHFFFAOYSA-N
MW395.38 g/mol
LogP2.81
Rot. Bonds2

About 3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one

3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one (PubChem CID 24539861) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
PubChem CID24539861
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC Name3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CC(C)OC(C)C2)nn1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H20F3N3O3/c1-11-8-16(26)17(18(27)24-9-12(2)28-13(3)10-24)23-25(11)15-7-5-4-6-14(15)19(20,21)22/h4-8,12-13H,9-10H2,1-3H3
InChIKeyCYWGLKUGOJCWQS-UHFFFAOYSA-N
XLogP2.81
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one?
The IUPAC name of 3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one (CID 24539861) is 3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one?
The canonical SMILES for 3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one is Cc1cc(=O)c(C(=O)N2CC(C)OC(C)C2)nn1-c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one?
The InChIKey is CYWGLKUGOJCWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-11-8-16(26)17(18(27)24-9-12(2)28-13(3)10-24)23-25(11)15-7-5-4-6-14(15)19(20,21)22/h4-8,12-13H,9-10H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one?
3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one has a molecular weight of 395.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholine-4-carbonyl)-6-methyl-1-[2-(trifluoromethyl)phenyl]pyridazin-4-one is sourced from PubChem (CID 24539861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).