2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol

C17H18F3N3O2 — CID 155284535

IUPAC2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(NC2CC(C)(O)C2)nn1
InChIInChI=1S/C17H18F3N3O2/c1-9-5-10(17(18,19)20)6-13(24)15(9)12-3-4-14(23-22-12)21-11-7-16(2,25)8-11/h3-6,11,24-25H,7-8H2,1-2H3,(H,21,23)
InChIKeyZIKFUBFPICKFQA-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.50
Rot. Bonds3

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

2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol (PubChem CID 155284535) 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]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
PubChem CID155284535
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(NC2CC(C)(O)C2)nn1
InChIInChI=1S/C17H18F3N3O2/c1-9-5-10(17(18,19)20)6-13(24)15(9)12-3-4-14(23-22-12)21-11-7-16(2,25)8-11/h3-6,11,24-25H,7-8H2,1-2H3,(H,21,23)
InChIKeyZIKFUBFPICKFQA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol (CID 155284535) is 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(NC2CC(C)(O)C2)nn1.
What is the InChIKey of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The InChIKey is ZIKFUBFPICKFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-9-5-10(17(18,19)20)6-13(24)15(9)12-3-4-14(23-22-12)21-11-7-16(2,25)8-11/h3-6,11,24-25H,7-8H2,1-2H3,(H,21,23).
What are the key properties of 2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
2-[6-[(3-hydroxy-3-methylcyclobutyl)amino]pyridazin-3-yl]-3-methyl-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]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155284535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).