4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine

C15H14F3N3O2 — CID 46226071

IUPAC4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine
SMILESFC(F)(F)Oc1ccccc1-c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)23-13-4-2-1-3-11(13)12-5-6-14(20-19-12)21-7-9-22-10-8-21/h1-6H,7-10H2
InChIKeyZGRCLYSCHUCQID-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.88
Rot. Bonds3

About 4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine

4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine (PubChem CID 46226071) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine
PubChem CID46226071
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine
SMILESFC(F)(F)Oc1ccccc1-c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)23-13-4-2-1-3-11(13)12-5-6-14(20-19-12)21-7-9-22-10-8-21/h1-6H,7-10H2
InChIKeyZGRCLYSCHUCQID-UHFFFAOYSA-N
XLogP2.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine (CID 46226071) is 4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine is FC(F)(F)Oc1ccccc1-c1ccc(N2CCOCC2)nn1.
What is the InChIKey of 4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine?
The InChIKey is ZGRCLYSCHUCQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)23-13-4-2-1-3-11(13)12-5-6-14(20-19-12)21-7-9-22-10-8-21/h1-6H,7-10H2.
What are the key properties of 4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine?
4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine has a molecular weight of 325.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 46226071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).