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

C11H9ClF3N3O — CID 82196332

IUPAC[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESCc1ccc(Cl)cc1-n1nnc(CO)c1C(F)(F)F
InChIInChI=1S/C11H9ClF3N3O/c1-6-2-3-7(12)4-9(6)18-10(11(13,14)15)8(5-19)16-17-18/h2-4,19H,5H2,1H3
InChIKeyNKLZTDPSBOUSDG-UHFFFAOYSA-N
MW291.66 g/mol
LogP2.74
Rot. Bonds2

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

[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol (PubChem CID 82196332) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is [1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
PubChem CID82196332
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESCc1ccc(Cl)cc1-n1nnc(CO)c1C(F)(F)F
InChIInChI=1S/C11H9ClF3N3O/c1-6-2-3-7(12)4-9(6)18-10(11(13,14)15)8(5-19)16-17-18/h2-4,19H,5H2,1H3
InChIKeyNKLZTDPSBOUSDG-UHFFFAOYSA-N
XLogP2.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazole-4-carbaldehyde
CID 82196334
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanol
CID 82196326
[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
CID 94937113
[1-(5-chloro-2-methylphenyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82196353
[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol
CID 82195237
1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
CID 82196284
[5-tert-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686716
[1-[(4-methylphenyl)methyl]-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82203256
[1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol
CID 94937256
2-[1-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyltriazol-4-yl]acetic acid
CID 43671455
[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 82195856
[1-(5-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methanol
CID 84614934

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol (CID 82196332) is [1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol is Cc1ccc(Cl)cc1-n1nnc(CO)c1C(F)(F)F.
What is the InChIKey of [1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
The InChIKey is NKLZTDPSBOUSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c1-6-2-3-7(12)4-9(6)18-10(11(13,14)15)8(5-19)16-17-18/h2-4,19H,5H2,1H3.
What are the key properties of [1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol?
[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol has a molecular weight of 291.66 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82196332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).