2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol

C12H11F3N2O — CID 134106923

IUPAC2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol
SMILESCN1NC(c2ccccc2)=C(O)C=C1C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-17-10(12(13,14)15)7-9(18)11(16-17)8-5-3-2-4-6-8/h2-7,16,18H,1H3
InChIKeyXKWOCFWWYIXZEG-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.81
Rot. Bonds1

About 2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol

2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol (PubChem CID 134106923) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol.

Molecular Properties

Compound Name2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol
PubChem CID134106923
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol
SMILESCN1NC(c2ccccc2)=C(O)C=C1C(F)(F)F
InChIInChI=1S/C12H11F3N2O/c1-17-10(12(13,14)15)7-9(18)11(16-17)8-5-3-2-4-6-8/h2-7,16,18H,1H3
InChIKeyXKWOCFWWYIXZEG-UHFFFAOYSA-N
XLogP2.81
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-methylpropyl)-6-[4-(trifluoromethyl)phenyl]-1H-pyridazin-4-ol
CID 141064925
3-hydroxy-5-phenyl-3-(trifluoromethyl)-1H-pyrazole-2-carbaldehyde
CID 3479499
4-(2,2-Dimethylhydrazinyl)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-one
CID 3984147
1-[5-(4-fluorophenyl)-3-hydroxy-3-(trifluoromethyl)-1H-pyrazol-2-yl]ethanone
CID 4249218
4-(2,2-Dimethylhydrazinyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 4330570
5-Phenyl-3-(trifluoromethyl)-1,2-dihydropyrazol-3-ol
CID 4519188
(3E)-4-(2,2-dimethylhydrazinyl)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-one
CID 5977653
(3E)-4-(2,2-dimethylhydrazinyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 6071401
(Z)-4-(2,2-dimethylhydrazinyl)-1,1,1-trifluoro-4-(4-methylphenyl)but-3-en-2-one
CID 6377635
(Z)-4-(2,2-dimethylhydrazinyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 98211448
2,5-dimethyl-3-phenyl-1H-pyrazol-5-ol
CID 124095371
2-Methyl-5-(4-methylphenyl)-1,3-dihydropyrazol-3-ol
CID 140138797

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol?
The IUPAC name of 2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol (CID 134106923) is 2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol.
What is the SMILES notation for 2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol?
The canonical SMILES for 2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol is CN1NC(c2ccccc2)=C(O)C=C1C(F)(F)F.
What is the InChIKey of 2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol?
The InChIKey is XKWOCFWWYIXZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-17-10(12(13,14)15)7-9(18)11(16-17)8-5-3-2-4-6-8/h2-7,16,18H,1H3.
What are the key properties of 2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol?
2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol has a molecular weight of 256.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-3-(trifluoromethyl)-1H-pyridazin-5-ol is sourced from PubChem (CID 134106923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).