2-(2,4-dimethylphenyl)benzotriazole

C14H13N3 — CID 11542450

IUPAC2-(2,4-dimethylphenyl)benzotriazole
SMILESCc1ccc(-n2nc3ccccc3n2)c(C)c1
InChIInChI=1S/C14H13N3/c1-10-7-8-14(11(2)9-10)17-15-12-5-3-4-6-13(12)16-17/h3-9H,1-2H3
InChIKeyYLGGLOBLERAEMJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.04
Rot. Bonds1

About 2-(2,4-dimethylphenyl)benzotriazole

2-(2,4-dimethylphenyl)benzotriazole (PubChem CID 11542450) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)benzotriazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)benzotriazole
PubChem CID11542450
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name2-(2,4-dimethylphenyl)benzotriazole
SMILESCc1ccc(-n2nc3ccccc3n2)c(C)c1
InChIInChI=1S/C14H13N3/c1-10-7-8-14(11(2)9-10)17-15-12-5-3-4-6-13(12)16-17/h3-9H,1-2H3
InChIKeyYLGGLOBLERAEMJ-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)benzotriazole?
The IUPAC name of 2-(2,4-dimethylphenyl)benzotriazole (CID 11542450) is 2-(2,4-dimethylphenyl)benzotriazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)benzotriazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)benzotriazole is Cc1ccc(-n2nc3ccccc3n2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)benzotriazole?
The InChIKey is YLGGLOBLERAEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-7-8-14(11(2)9-10)17-15-12-5-3-4-6-13(12)16-17/h3-9H,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)benzotriazole?
2-(2,4-dimethylphenyl)benzotriazole has a molecular weight of 223.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)benzotriazole is sourced from PubChem (CID 11542450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).