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

C21H27F3N4O — CID 136598267

IUPAC2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol
SMILESCN(c1ccc(-c2cc(C(F)(F)F)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H27F3N4O/c1-19(2)11-14(12-20(3,4)27-19)28(5)18-9-7-16(25-26-18)15-10-13(21(22,23)24)6-8-17(15)29/h6-10,14,27,29H,11-12H2,1-5H3
InChIKeyPWHZYJWAKIRUGA-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.61
Rot. Bonds3

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

2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol (PubChem CID 136598267) has the molecular formula C21H27F3N4O and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol
PubChem CID136598267
Molecular FormulaC21H27F3N4O
Molecular Weight408.47 g/mol
Exact Mass408.21
IUPAC Name2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol
SMILESCN(c1ccc(-c2cc(C(F)(F)F)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H27F3N4O/c1-19(2)11-14(12-20(3,4)27-19)28(5)18-9-7-16(25-26-18)15-10-13(21(22,23)24)6-8-17(15)29/h6-10,14,27,29H,11-12H2,1-5H3
InChIKeyPWHZYJWAKIRUGA-UHFFFAOYSA-N
XLogP4.61
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol (CID 136598267) is 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol is CN(c1ccc(-c2cc(C(F)(F)F)ccc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol?
The InChIKey is PWHZYJWAKIRUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N4O/c1-19(2)11-14(12-20(3,4)27-19)28(5)18-9-7-16(25-26-18)15-10-13(21(22,23)24)6-8-17(15)29/h6-10,14,27,29H,11-12H2,1-5H3.
What are the key properties of 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol?
2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol has a molecular weight of 408.47 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-4-(trifluoromethyl)phenol is sourced from PubChem (CID 136598267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).