4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole

C14H19N3 — CID 157409779

IUPAC4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole
SMILESCCc1cc(-n2cnnc2)cc(C(C)(C)C)c1
InChIInChI=1S/C14H19N3/c1-5-11-6-12(14(2,3)4)8-13(7-11)17-9-15-16-10-17/h6-10H,5H2,1-4H3
InChIKeyQFPTZCMKCIWXCQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.13
Rot. Bonds2

About 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole

4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole (PubChem CID 157409779) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole
PubChem CID157409779
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole
SMILESCCc1cc(-n2cnnc2)cc(C(C)(C)C)c1
InChIInChI=1S/C14H19N3/c1-5-11-6-12(14(2,3)4)8-13(7-11)17-9-15-16-10-17/h6-10H,5H2,1-4H3
InChIKeyQFPTZCMKCIWXCQ-UHFFFAOYSA-N
XLogP3.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole (CID 157409779) is 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole is CCc1cc(-n2cnnc2)cc(C(C)(C)C)c1.
What is the InChIKey of 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole?
The InChIKey is QFPTZCMKCIWXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-11-6-12(14(2,3)4)8-13(7-11)17-9-15-16-10-17/h6-10H,5H2,1-4H3.
What are the key properties of 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole?
4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole has a molecular weight of 229.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-5-ethylphenyl)-1,2,4-triazole is sourced from PubChem (CID 157409779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).