4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol

C21H27F3N4O2 — CID 136598224

IUPAC4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol
SMILESCN(c1ccc(-c2ccc(O)cc2OC(F)(F)F)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H27F3N4O2/c1-19(2)11-13(12-20(3,4)27-19)28(5)18-9-8-16(25-26-18)15-7-6-14(29)10-17(15)30-21(22,23)24/h6-10,13,27,29H,11-12H2,1-5H3
InChIKeyCAQJOPZEWCGSMG-UHFFFAOYSA-N
MW424.47 g/mol
LogP4.49
Rot. Bonds4

About 4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol

4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol (PubChem CID 136598224) has the molecular formula C21H27F3N4O2 and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol
PubChem CID136598224
Molecular FormulaC21H27F3N4O2
Molecular Weight424.47 g/mol
Exact Mass424.21
IUPAC Name4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol
SMILESCN(c1ccc(-c2ccc(O)cc2OC(F)(F)F)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H27F3N4O2/c1-19(2)11-13(12-20(3,4)27-19)28(5)18-9-8-16(25-26-18)15-7-6-14(29)10-17(15)30-21(22,23)24/h6-10,13,27,29H,11-12H2,1-5H3
InChIKeyCAQJOPZEWCGSMG-UHFFFAOYSA-N
XLogP4.49
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol?
The IUPAC name of 4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol (CID 136598224) is 4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol.
What is the SMILES notation for 4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol?
The canonical SMILES for 4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol is CN(c1ccc(-c2ccc(O)cc2OC(F)(F)F)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol?
The InChIKey is CAQJOPZEWCGSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O2/c1-19(2)11-13(12-20(3,4)27-19)28(5)18-9-8-16(25-26-18)15-7-6-14(29)10-17(15)30-21(22,23)24/h6-10,13,27,29H,11-12H2,1-5H3.
What are the key properties of 4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol?
4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol has a molecular weight of 424.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol is sourced from PubChem (CID 136598224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).