[4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol

C16H23N3O — CID 115396470

IUPAC[4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol
SMILESCc1cc(C)c(-c2nnc(CO)n2C(C)(C)C)c(C)c1
InChIInChI=1S/C16H23N3O/c1-10-7-11(2)14(12(3)8-10)15-18-17-13(9-20)19(15)16(4,5)6/h7-8,20H,9H2,1-6H3
InChIKeyKWYCJPXREZTDCI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.12
Rot. Bonds2

About [4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol

[4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115396470) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115396470
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol
SMILESCc1cc(C)c(-c2nnc(CO)n2C(C)(C)C)c(C)c1
InChIInChI=1S/C16H23N3O/c1-10-7-11(2)14(12(3)8-10)15-18-17-13(9-20)19(15)16(4,5)6/h7-8,20H,9H2,1-6H3
InChIKeyKWYCJPXREZTDCI-UHFFFAOYSA-N
XLogP3.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396506
[4-tert-butyl-5-(3-chloro-5-methylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396521
[4-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol
CID 113301762
[4-tert-butyl-5-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396576
[4-tert-butyl-5-[(2,5-dimethylphenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 115396537
[5-(2-bromo-3-methylphenyl)-4-tert-butyl-1,2,4-triazol-3-yl]methanol
CID 107984336
4-tert-butyl-3-(2,4,6-trimethylphenyl)-1,2,4-triazole
CID 113301219
[4-tert-butyl-5-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]methanol
CID 115396528
[5-(2-bromo-3-fluorophenyl)-4-tert-butyl-1,2,4-triazol-3-yl]methanol
CID 115396431
[4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazol-3-yl]methanol
CID 103167572
[4-tert-butyl-5-(2-methoxy-2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 103022869
[4-tert-butyl-5-(1,1,2,2,2-pentafluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 115396445

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol (CID 115396470) is [4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol is Cc1cc(C)c(-c2nnc(CO)n2C(C)(C)C)c(C)c1.
What is the InChIKey of [4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is KWYCJPXREZTDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10-7-11(2)14(12(3)8-10)15-18-17-13(9-20)19(15)16(4,5)6/h7-8,20H,9H2,1-6H3.
What are the key properties of [4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol?
[4-tert-butyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 273.38 g/mol, XLogP of 3.12, 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-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115396470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).