2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine

C14H14F3N3OS — CID 133420098

IUPAC2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
SMILESCC1CN(c2ccc(C(F)(F)F)nn2)CC(c2ccsc2)O1
InChIInChI=1S/C14H14F3N3OS/c1-9-6-20(7-11(21-9)10-4-5-22-8-10)13-3-2-12(18-19-13)14(15,16)17/h2-5,8-9,11H,6-7H2,1H3
InChIKeySSSDZOYUGYDBAF-UHFFFAOYSA-N
MW329.35 g/mol
LogP3.52
Rot. Bonds2

About 2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine

2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine (PubChem CID 133420098) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
PubChem CID133420098
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
SMILESCC1CN(c2ccc(C(F)(F)F)nn2)CC(c2ccsc2)O1
InChIInChI=1S/C14H14F3N3OS/c1-9-6-20(7-11(21-9)10-4-5-22-8-10)13-3-2-12(18-19-13)14(15,16)17/h2-5,8-9,11H,6-7H2,1H3
InChIKeySSSDZOYUGYDBAF-UHFFFAOYSA-N
XLogP3.52
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine?
The IUPAC name of 2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine (CID 133420098) is 2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine?
The canonical SMILES for 2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine is CC1CN(c2ccc(C(F)(F)F)nn2)CC(c2ccsc2)O1.
What is the InChIKey of 2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine?
The InChIKey is SSSDZOYUGYDBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c1-9-6-20(7-11(21-9)10-4-5-22-8-10)13-3-2-12(18-19-13)14(15,16)17/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine?
2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine has a molecular weight of 329.35 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-thiophen-3-yl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 133420098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).