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

C17H14F3N3O — CID 56769459

IUPAC[5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESCc1ccc(-c2c(CO)nnn2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3N3O/c1-11-5-7-12(8-6-11)16-15(10-24)21-22-23(16)14-4-2-3-13(9-14)17(18,19)20/h2-9,24H,10H2,1H3
InChIKeyCKTPYGVNURMPFO-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.75
Rot. Bonds3

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

[5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 56769459) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID56769459
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name[5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESCc1ccc(-c2c(CO)nnn2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H14F3N3O/c1-11-5-7-12(8-6-11)16-15(10-24)21-22-23(16)14-4-2-3-13(9-14)17(18,19)20/h2-9,24H,10H2,1H3
InChIKeyCKTPYGVNURMPFO-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-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 56769459) is [5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol is Cc1ccc(-c2c(CO)nnn2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is CKTPYGVNURMPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-11-5-7-12(8-6-11)16-15(10-24)21-22-23(16)14-4-2-3-13(9-14)17(18,19)20/h2-9,24H,10H2,1H3.
What are the key properties of [5-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[5-(4-methylphenyl)-1-[3-(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-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 56769459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).