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

C17H14F3N3O2 — CID 56769377

IUPAC[5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESCOc1ccc(-c2c(CO)nnn2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H14F3N3O2/c1-25-14-8-2-11(3-9-14)16-15(10-24)21-22-23(16)13-6-4-12(5-7-13)17(18,19)20/h2-9,24H,10H2,1H3
InChIKeyVDAZAMNEGZNNGA-UHFFFAOYSA-N
MW349.31 g/mol
LogP3.45
Rot. Bonds4

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

[5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (PubChem CID 56769377) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
PubChem CID56769377
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name[5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
SMILESCOc1ccc(-c2c(CO)nnn2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H14F3N3O2/c1-25-14-8-2-11(3-9-14)16-15(10-24)21-22-23(16)13-6-4-12(5-7-13)17(18,19)20/h2-9,24H,10H2,1H3
InChIKeyVDAZAMNEGZNNGA-UHFFFAOYSA-N
XLogP3.45
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The IUPAC name of [5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol (CID 56769377) is [5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The canonical SMILES for [5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is COc1ccc(-c2c(CO)nnn2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
The InChIKey is VDAZAMNEGZNNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-25-14-8-2-11(3-9-14)16-15(10-24)21-22-23(16)13-6-4-12(5-7-13)17(18,19)20/h2-9,24H,10H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol?
[5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol has a molecular weight of 349.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 56769377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).