4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole

C14H19N3 — CID 113301166

IUPAC4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole
SMILESCc1ccc(-c2nncn2C(C)(C)C)c(C)c1
InChIInChI=1S/C14H19N3/c1-10-6-7-12(11(2)8-10)13-16-15-9-17(13)14(3,4)5/h6-9H,1-5H3
InChIKeyFZNDTNYMMMZOQC-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.32
Rot. Bonds1

About 4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole

4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole (PubChem CID 113301166) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole
PubChem CID113301166
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole
SMILESCc1ccc(-c2nncn2C(C)(C)C)c(C)c1
InChIInChI=1S/C14H19N3/c1-10-6-7-12(11(2)8-10)13-16-15-9-17(13)14(3,4)5/h6-9H,1-5H3
InChIKeyFZNDTNYMMMZOQC-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-3-(2,4,6-trimethylphenyl)-1,2,4-triazole
CID 113301219
[4-tert-butyl-5-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396506
4-tert-butyl-3-[(2,5-dimethylphenyl)methyl]-1,2,4-triazole
CID 113301221
4-tert-butyl-3-(3,4-dichlorophenyl)-1,2,4-triazole
CID 115394372
4-tert-butyl-3-(4,5-dimethylthiophen-2-yl)-1,2,4-triazole
CID 115394535
2,5-bis(2,4-dimethylphenyl)furan
CID 69007867
4-(2,4-dimethylphenyl)-3-(2-methylhexan-2-yl)-1,2,4-triazole
CID 164927648
4-tert-butyl-6-chloro-2-(2,4-dimethylphenyl)pyrimidine
CID 43557888
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
CID 116900149
3-methyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 62697003
6-(2,4-dimethylphenyl)-2,3-dimethylpyridine;ethane
CID 176948420

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole?
The IUPAC name of 4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole (CID 113301166) is 4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole is Cc1ccc(-c2nncn2C(C)(C)C)c(C)c1.
What is the InChIKey of 4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole?
The InChIKey is FZNDTNYMMMZOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-6-7-12(11(2)8-10)13-16-15-9-17(13)14(3,4)5/h6-9H,1-5H3.
What are the key properties of 4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole?
4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole has a molecular weight of 229.33 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(2,4-dimethylphenyl)-1,2,4-triazole is sourced from PubChem (CID 113301166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).