5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole

C15H14ClN3 — CID 57072452

IUPAC5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
SMILESCc1cc(C)c(-n2nc3ccc(Cl)cc3n2)cc1C
InChIInChI=1S/C15H14ClN3/c1-9-6-11(3)15(7-10(9)2)19-17-13-5-4-12(16)8-14(13)18-19/h4-8H,1-3H3
InChIKeyOHYFNETYXUTJMI-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.00
Rot. Bonds1

About 5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole

5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole (PubChem CID 57072452) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole.

Molecular Properties

Compound Name5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
PubChem CID57072452
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole
SMILESCc1cc(C)c(-n2nc3ccc(Cl)cc3n2)cc1C
InChIInChI=1S/C15H14ClN3/c1-9-6-11(3)15(7-10(9)2)19-17-13-5-4-12(16)8-14(13)18-19/h4-8H,1-3H3
InChIKeyOHYFNETYXUTJMI-UHFFFAOYSA-N
XLogP4.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole?
The IUPAC name of 5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole (CID 57072452) is 5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole.
What is the SMILES notation for 5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole?
The canonical SMILES for 5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole is Cc1cc(C)c(-n2nc3ccc(Cl)cc3n2)cc1C.
What is the InChIKey of 5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole?
The InChIKey is OHYFNETYXUTJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-9-6-11(3)15(7-10(9)2)19-17-13-5-4-12(16)8-14(13)18-19/h4-8H,1-3H3.
What are the key properties of 5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole?
5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole has a molecular weight of 271.75 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,4,5-trimethylphenyl)benzotriazole is sourced from PubChem (CID 57072452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).