5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one

C17H16F3N3O4 — CID 56869418

IUPAC5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one
SMILESCc1ccc(-n2nc(C(=O)N3CCOC(C(F)(F)F)C3)c(O)cc2=O)cc1
InChIInChI=1S/C17H16F3N3O4/c1-10-2-4-11(5-3-10)23-14(25)8-12(24)15(21-23)16(26)22-6-7-27-13(9-22)17(18,19)20/h2-5,8,13,24H,6-7,9H2,1H3
InChIKeyXBSZLAYSEHPSNB-UHFFFAOYSA-N
MW383.33 g/mol
LogP1.65
Rot. Bonds2

About 5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one

5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one (PubChem CID 56869418) has the molecular formula C17H16F3N3O4 and a molecular weight of 383.33 g/mol. Its IUPAC name is 5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one
PubChem CID56869418
Molecular FormulaC17H16F3N3O4
Molecular Weight383.33 g/mol
Exact Mass383.11
IUPAC Name5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one
SMILESCc1ccc(-n2nc(C(=O)N3CCOC(C(F)(F)F)C3)c(O)cc2=O)cc1
InChIInChI=1S/C17H16F3N3O4/c1-10-2-4-11(5-3-10)23-14(25)8-12(24)15(21-23)16(26)22-6-7-27-13(9-22)17(18,19)20/h2-5,8,13,24H,6-7,9H2,1H3
InChIKeyXBSZLAYSEHPSNB-UHFFFAOYSA-N
XLogP1.65
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one?
The IUPAC name of 5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one (CID 56869418) is 5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one.
What is the SMILES notation for 5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one?
The canonical SMILES for 5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one is Cc1ccc(-n2nc(C(=O)N3CCOC(C(F)(F)F)C3)c(O)cc2=O)cc1.
What is the InChIKey of 5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one?
The InChIKey is XBSZLAYSEHPSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O4/c1-10-2-4-11(5-3-10)23-14(25)8-12(24)15(21-23)16(26)22-6-7-27-13(9-22)17(18,19)20/h2-5,8,13,24H,6-7,9H2,1H3.
What are the key properties of 5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one?
5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one has a molecular weight of 383.33 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-methylphenyl)-6-[2-(trifluoromethyl)morpholine-4-carbonyl]pyridazin-3-one is sourced from PubChem (CID 56869418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).