1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol

C12H12F3N3O — CID 59645293

IUPAC1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1C(C)O
InChIInChI=1S/C12H12F3N3O/c1-7-11(8(2)19)17-18(16-7)10-5-3-9(4-6-10)12(13,14)15/h3-6,8,19H,1-2H3
InChIKeyWMSBZFPKGNYDDK-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.65
Rot. Bonds2

About 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol

1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (PubChem CID 59645293) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
PubChem CID59645293
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1C(C)O
InChIInChI=1S/C12H12F3N3O/c1-7-11(8(2)19)17-18(16-7)10-5-3-9(4-6-10)12(13,14)15/h3-6,8,19H,1-2H3
InChIKeyWMSBZFPKGNYDDK-UHFFFAOYSA-N
XLogP2.65
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol (CID 59645293) is 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1C(C)O.
What is the InChIKey of 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
The InChIKey is WMSBZFPKGNYDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7-11(8(2)19)17-18(16-7)10-5-3-9(4-6-10)12(13,14)15/h3-6,8,19H,1-2H3.
What are the key properties of 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol?
1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol has a molecular weight of 271.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]ethanol is sourced from PubChem (CID 59645293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).