1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

C12H12F3N3O — CID 115836029

IUPAC1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCn1nncc1C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O/c1-18-10(7-16-17-18)11(19)6-8-2-4-9(5-3-8)12(13,14)15/h2-5,7,11,19H,6H2,1H3
InChIKeyATOBKVMIJZAXIA-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.11
Rot. Bonds3

About 1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol

1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 115836029) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID115836029
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESCn1nncc1C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O/c1-18-10(7-16-17-18)11(19)6-8-2-4-9(5-3-8)12(13,14)15/h2-5,7,11,19H,6H2,1H3
InChIKeyATOBKVMIJZAXIA-UHFFFAOYSA-N
XLogP2.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105337598
2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 115836004
2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353
N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 115682218
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 105091094
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115811618
4,4,4-trifluoro-1-(3-methyltriazol-4-yl)butan-1-amine
CID 114688588
[2-(4-bromophenyl)-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105195498
1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 82895393
1-(2-methylthiophen-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 102842312
1-(6-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 63555423
2-(4-fluorophenyl)-1-(3-phenyltriazol-4-yl)ethanol
CID 114686314

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 115836029) is 1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is Cn1nncc1C(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ATOBKVMIJZAXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-18-10(7-16-17-18)11(19)6-8-2-4-9(5-3-8)12(13,14)15/h2-5,7,11,19H,6H2,1H3.
What are the key properties of 1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 271.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115836029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).