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

C12H12F3N3O — CID 82203256

IUPAC[1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESCc1ccc(Cn2nnc(CO)c2C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O/c1-8-2-4-9(5-3-8)6-18-11(12(13,14)15)10(7-19)16-17-18/h2-5,19H,6-7H2,1H3
InChIKeyBKIVMHJXKUJRMK-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.15
Rot. Bonds3

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

[1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol (PubChem CID 82203256) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol
PubChem CID82203256
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name[1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESCc1ccc(Cn2nnc(CO)c2C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N3O/c1-8-2-4-9(5-3-8)6-18-11(12(13,14)15)10(7-19)16-17-18/h2-5,19H,6-7H2,1H3
InChIKeyBKIVMHJXKUJRMK-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213
1-[[4-(hydroxymethyl)phenyl]methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642841
[1-(3-phenylpropyl)-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82208937
[1-[(4-methylphenyl)methyl]-5-pyridin-3-yltriazol-4-yl]methanol
CID 82203247
[1-[(4-methylphenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203204
[1-benzyl-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanol
CID 82203119
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 102642733
1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 43471149
[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82196332
1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 94942577
[1-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)triazol-4-yl]methanol
CID 94943302
[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203283

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol?
The IUPAC name of [1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol (CID 82203256) is [1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol is Cc1ccc(Cn2nnc(CO)c2C(F)(F)F)cc1.
What is the InChIKey of [1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol?
The InChIKey is BKIVMHJXKUJRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8-2-4-9(5-3-8)6-18-11(12(13,14)15)10(7-19)16-17-18/h2-5,19H,6-7H2,1H3.
What are the key properties of [1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol?
[1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol has a molecular weight of 271.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82203256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).