2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol

C17H18F3N3O2 — CID 155284643

IUPAC2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1cc(NC2CC(C)(O)C2)nnc1-c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C17H18F3N3O2/c1-9-5-14(21-11-7-16(2,25)8-11)22-23-15(9)12-4-3-10(6-13(12)24)17(18,19)20/h3-6,11,24-25H,7-8H2,1-2H3,(H,21,22)
InChIKeyGBCLUOWKBFJJQW-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.50
Rot. Bonds3

About 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol

2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 155284643) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID155284643
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1cc(NC2CC(C)(O)C2)nnc1-c1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C17H18F3N3O2/c1-9-5-14(21-11-7-16(2,25)8-11)22-23-15(9)12-4-3-10(6-13(12)24)17(18,19)20/h3-6,11,24-25H,7-8H2,1-2H3,(H,21,22)
InChIKeyGBCLUOWKBFJJQW-UHFFFAOYSA-N
XLogP3.50
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol with MolForge

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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
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
3-Hydroxy-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)benzonitrile
CID 136253042
4-[4-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-1-(fluoromethyl)pyridin-2-one
CID 154598827
(E)-3-[4-[6-[[(1R,5S)-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-2-fluoro-5-hydroxyphenyl]-N-methylprop-2-enamide
CID 155386572
US11208399, Example 48
CID 155284639
US11208399, Example 12
CID 155284666
US11208399, Example 6
CID 155284686
(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol
CID 166456099

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol (CID 155284643) is 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol is Cc1cc(NC2CC(C)(O)C2)nnc1-c1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is GBCLUOWKBFJJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-9-5-14(21-11-7-16(2,25)8-11)22-23-15(9)12-4-3-10(6-13(12)24)17(18,19)20/h3-6,11,24-25H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 353.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]-4-methylpyridazin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155284643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).