[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol

C11H10F3N3O — CID 59645338

IUPAC[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1CO
InChIInChI=1S/C11H10F3N3O/c1-7-10(6-18)16-17(15-7)9-4-2-8(3-5-9)11(12,13)14/h2-5,18H,6H2,1H3
InChIKeyZUWCGJRVYIMXFP-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.09
Rot. Bonds2

About [5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol

[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 59645338) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is [5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID59645338
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1CO
InChIInChI=1S/C11H10F3N3O/c1-7-10(6-18)16-17(15-7)9-4-2-8(3-5-9)11(12,13)14/h2-5,18H,6H2,1H3
InChIKeyZUWCGJRVYIMXFP-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanol
CID 563195
[1-(4-Fluoroanilino)-5-methyltriazol-4-yl]methanol
CID 139196630
[5-Methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 19778295
[2-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-ethyltriazol-4-yl]methanol
CID 19778380
2-(2,6-dichloro-4-trifluoromethylphenyl)-5-methyl-2H-1,2,3-triazol-4-ylmethanol
CID 19778391
1-[5-Methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 59645293
[5-Phenyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 59645307
2-[5-Methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol
CID 59645325
2-[5-Methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 59645342
3-[5-Methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-ol
CID 59645346
[2-[4-(Fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol
CID 71137338
5-Methyl-2-(4-(trifluoromethyl)phenyl)-2H-1,2,3-triazole-4-carboxylic acid
CID 82488266

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 59645338) is [5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1CO.
What is the InChIKey of [5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is ZUWCGJRVYIMXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-7-10(6-18)16-17(15-7)9-4-2-8(3-5-9)11(12,13)14/h2-5,18H,6H2,1H3.
What are the key properties of [5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 257.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 59645338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).