[5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol

C17H14F3N3O — CID 56769478

IUPAC[5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESCc1cccc(-c2c(CO)nnn2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O/c1-11-5-4-6-12(9-11)16-14(10-24)21-22-23(16)15-8-3-2-7-13(15)17(18,19)20/h2-9,24H,10H2,1H3
InChIKeyQONVOJRSWVJYGG-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.75
Rot. Bonds3

About [5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol

[5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 56769478) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is [5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID56769478
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name[5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESCc1cccc(-c2c(CO)nnn2-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O/c1-11-5-4-6-12(9-11)16-14(10-24)21-22-23(16)15-8-3-2-7-13(15)17(18,19)20/h2-9,24H,10H2,1H3
InChIKeyQONVOJRSWVJYGG-UHFFFAOYSA-N
XLogP3.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 56769478) is [5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol is Cc1cccc(-c2c(CO)nnn2-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of [5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is QONVOJRSWVJYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-11-5-4-6-12(9-11)16-14(10-24)21-22-23(16)15-8-3-2-7-13(15)17(18,19)20/h2-9,24H,10H2,1H3.
What are the key properties of [5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 333.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 56769478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).