[1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol

C11H10F3N3OS — CID 82200908

IUPAC[1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESCSc1cccc(-n2nnc(CO)c2C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3OS/c1-19-8-4-2-3-7(5-8)17-10(11(12,13)14)9(6-18)15-16-17/h2-5,18H,6H2,1H3
InChIKeyNYIIQMDWWMGFFC-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.50
Rot. Bonds3

About [1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol

[1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol (PubChem CID 82200908) has the molecular formula C11H10F3N3OS and a molecular weight of 289.28 g/mol. Its IUPAC name is [1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
PubChem CID82200908
Molecular FormulaC11H10F3N3OS
Molecular Weight289.28 g/mol
Exact Mass289.05
IUPAC Name[1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESCSc1cccc(-n2nnc(CO)c2C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3OS/c1-19-8-4-2-3-7(5-8)17-10(11(12,13)14)9(6-18)15-16-17/h2-5,18H,6H2,1H3
InChIKeyNYIIQMDWWMGFFC-UHFFFAOYSA-N
XLogP2.50
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Fluorophenyl)-1H-1,2,3-triazole-4,5-dimethanol
CID 4912831
(1-(4-Fluorophenyl)-4-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 19914681
[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methanol
CID 44200439
[1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methanol
CID 56686713
(1-(2-Fluorophenyl)-4-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 67498340
[1-Phenyl-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82200236
[5-(Difluoromethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol
CID 121293489
[5-(1-Fluoroethyl)-3-(4-fluorophenyl)triazol-4-yl]methanol
CID 123900122
1-[1-(2-Fluorophenyl)-5-methyltriazol-4-yl]ethanol
CID 134518770
1-[1-(2,4-Difluorophenyl)-5-methyltriazol-4-yl]propan-1-ol
CID 134518845
[1-[2-Ethylsulfinyl-4-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]methanol
CID 156215214
[1-(2-Fluorophenyl)-5-methyltriazol-4-yl]methanediol
CID 163437904

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol (CID 82200908) is [1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol is CSc1cccc(-n2nnc(CO)c2C(F)(F)F)c1.
What is the InChIKey of [1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
The InChIKey is NYIIQMDWWMGFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3OS/c1-19-8-4-2-3-7(5-8)17-10(11(12,13)14)9(6-18)15-16-17/h2-5,18H,6H2,1H3.
What are the key properties of [1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
[1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol has a molecular weight of 289.28 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82200908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).