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

C11H10F3N3O — CID 82207852

IUPAC[1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESCn1nnc(CO)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O/c1-17-10(9(6-18)15-16-17)7-2-4-8(5-3-7)11(12,13)14/h2-5,18H,6H2,1H3
InChIKeyKSGVXVUJBJHWJL-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.99
Rot. Bonds2

About [1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol

[1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 82207852) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is [1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID82207852
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name[1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESCn1nnc(CO)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H10F3N3O/c1-17-10(9(6-18)15-16-17)7-2-4-8(5-3-7)11(12,13)14/h2-5,18H,6H2,1H3
InChIKeyKSGVXVUJBJHWJL-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Benzyltriazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 134153294
3-[4-Phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol
CID 134860578
[3-Benzyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 138980862
[5-(4-Fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol
CID 19914682
(1-Methyl-3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-5-YL)methanol
CID 44818671
[2-Propyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methanol
CID 58906944
[5-(4-Fluoro-phenyl)-3-trimethylsilanylmethyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67496703
(4-(2-Fluorophenyl)-1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 67498210
[5-(4-Fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67498408
[5-(3,5-Difluorophenyl)-4-ethyl-1-methylpyrazol-3-yl]methanol
CID 68682250
[2-ethyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-methanol
CID 69280245
[2,4-dimethyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-methanol
CID 69283865

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 82207852) is [1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is Cn1nnc(CO)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is KSGVXVUJBJHWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-17-10(9(6-18)15-16-17)7-2-4-8(5-3-7)11(12,13)14/h2-5,18H,6H2,1H3.
What are the key properties of [1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 257.22 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 82207852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).