1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol

C12H12F3N3O — CID 58243956

IUPAC1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol
SMILESCC(O)c1nnc(-c2ccccc2C(F)(F)F)n1C
InChIInChI=1S/C12H12F3N3O/c1-7(19)10-16-17-11(18(10)2)8-5-3-4-6-9(8)12(13,14)15/h3-7,19H,1-2H3
InChIKeyVDDOKTNOXXDEMA-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.55
Rot. Bonds2

About 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol

1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol (PubChem CID 58243956) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol
PubChem CID58243956
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol
SMILESCC(O)c1nnc(-c2ccccc2C(F)(F)F)n1C
InChIInChI=1S/C12H12F3N3O/c1-7(19)10-16-17-11(18(10)2)8-5-3-4-6-9(8)12(13,14)15/h3-7,19H,1-2H3
InChIKeyVDDOKTNOXXDEMA-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol (CID 58243956) is 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol is CC(O)c1nnc(-c2ccccc2C(F)(F)F)n1C.
What is the InChIKey of 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol?
The InChIKey is VDDOKTNOXXDEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7(19)10-16-17-11(18(10)2)8-5-3-4-6-9(8)12(13,14)15/h3-7,19H,1-2H3.
What are the key properties of 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol?
1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol has a molecular weight of 271.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 58243956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).