1-(4-methylphenyl)benzotriazole

C13H11N3 — CID 10035997

IUPAC1-(4-methylphenyl)benzotriazole
SMILESCc1ccc(-n2nnc3ccccc32)cc1
InChIInChI=1S/C13H11N3/c1-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14-15-16/h2-9H,1H3
InChIKeyCQYNWFJFBFWPEU-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.73
Rot. Bonds1

About 1-(4-methylphenyl)benzotriazole

1-(4-methylphenyl)benzotriazole (PubChem CID 10035997) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(4-methylphenyl)benzotriazole.

Molecular Properties

Compound Name1-(4-methylphenyl)benzotriazole
PubChem CID10035997
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1-(4-methylphenyl)benzotriazole
SMILESCc1ccc(-n2nnc3ccccc32)cc1
InChIInChI=1S/C13H11N3/c1-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14-15-16/h2-9H,1H3
InChIKeyCQYNWFJFBFWPEU-UHFFFAOYSA-N
XLogP2.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)benzotriazole?
The IUPAC name of 1-(4-methylphenyl)benzotriazole (CID 10035997) is 1-(4-methylphenyl)benzotriazole.
What is the SMILES notation for 1-(4-methylphenyl)benzotriazole?
The canonical SMILES for 1-(4-methylphenyl)benzotriazole is Cc1ccc(-n2nnc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)benzotriazole?
The InChIKey is CQYNWFJFBFWPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14-15-16/h2-9H,1H3.
What are the key properties of 1-(4-methylphenyl)benzotriazole?
1-(4-methylphenyl)benzotriazole has a molecular weight of 209.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)benzotriazole is sourced from PubChem (CID 10035997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).