3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol

C18H15F3N4O — CID 155284545

IUPAC3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H15F3N4O/c1-11-8-12(18(19,20)21)9-15(26)17(11)14-5-6-16(25-24-14)23-10-13-4-2-3-7-22-13/h2-9,26H,10H2,1H3,(H,23,25)
InChIKeyNBKOXLIVEXDHGP-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.18
Rot. Bonds4

About 3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol

3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 155284545) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID155284545
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H15F3N4O/c1-11-8-12(18(19,20)21)9-15(26)17(11)14-5-6-16(25-24-14)23-10-13-4-2-3-7-22-13/h2-9,26H,10H2,1H3,(H,23,25)
InChIKeyNBKOXLIVEXDHGP-UHFFFAOYSA-N
XLogP4.18
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CID 155284649
US11208399, Example 4
CID 155284580
US11208399, Example 53
CID 155284733
7-(6-(Methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)isoquinolin-6-ol
CID 136607554
US11208399, Example 43
CID 155284538
US11208399, Example 46
CID 155284711
US11208399, Example 48
CID 155284639
US11208399, Example 12
CID 155284666
US11208399, Example 6
CID 155284686
US11208399, Example 2
CID 155284535
US11208399, Example 9
CID 155284548
US11208399, Example 64
CID 155284550

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol (CID 155284545) is 3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(NCc2ccccn2)nn1.
What is the InChIKey of 3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is NBKOXLIVEXDHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-11-8-12(18(19,20)21)9-15(26)17(11)14-5-6-16(25-24-14)23-10-13-4-2-3-7-22-13/h2-9,26H,10H2,1H3,(H,23,25).
What are the key properties of 3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol?
3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 360.34 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155284545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).