[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol

C15H21N3O — CID 115396506

IUPAC[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(-c2nnc(CO)n2C(C)(C)C)c(C)c1
InChIInChI=1S/C15H21N3O/c1-10-6-7-12(11(2)8-10)14-17-16-13(9-19)18(14)15(3,4)5/h6-8,19H,9H2,1-5H3
InChIKeyLTKCPJCIFKLFQH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.81
Rot. Bonds2

About [4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol

[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115396506) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115396506
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol
SMILESCc1ccc(-c2nnc(CO)n2C(C)(C)C)c(C)c1
InChIInChI=1S/C15H21N3O/c1-10-6-7-12(11(2)8-10)14-17-16-13(9-19)18(14)15(3,4)5/h6-8,19H,9H2,1-5H3
InChIKeyLTKCPJCIFKLFQH-UHFFFAOYSA-N
XLogP2.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396470
[4-tert-butyl-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 115396537
[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395828
[5-(2-bromo-3-methylphenyl)-4-tert-butyl-1,2,4-triazol-3-yl]methanol
CID 107984336
[4-tert-butyl-5-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]methanol
CID 115396528
[4-tert-butyl-5-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396576
[5-(2-bromo-3-fluorophenyl)-4-tert-butyl-1,2,4-triazol-3-yl]methanol
CID 115396431
4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole
CID 113301166
[4-tert-butyl-5-(3-chloro-5-methylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396521
[4-tert-butyl-5-(2-fluoro-5-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593345
4-tert-butyl-3-(chloromethyl)-5-(2,4-dichlorophenyl)-1,2,4-triazole
CID 115397876
[5-(2,5-dimethylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301734

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol (CID 115396506) is [4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol is Cc1ccc(-c2nnc(CO)n2C(C)(C)C)c(C)c1.
What is the InChIKey of [4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is LTKCPJCIFKLFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-6-7-12(11(2)8-10)14-17-16-13(9-19)18(14)15(3,4)5/h6-8,19H,9H2,1-5H3.
What are the key properties of [4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol?
[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).