1-[(2-methylphenyl)methyl]benzotriazole

C14H13N3 — CID 2992166

IUPAC1-[(2-methylphenyl)methyl]benzotriazole
SMILESCc1ccccc1Cn1nnc2ccccc21
InChIInChI=1S/C14H13N3/c1-11-6-2-3-7-12(11)10-17-14-9-5-4-8-13(14)15-16-17/h2-9H,10H2,1H3
InChIKeySKFGISZABVWDCB-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.79
Rot. Bonds2

About 1-[(2-methylphenyl)methyl]benzotriazole

1-[(2-methylphenyl)methyl]benzotriazole (PubChem CID 2992166) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]benzotriazole
PubChem CID2992166
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-[(2-methylphenyl)methyl]benzotriazole
SMILESCc1ccccc1Cn1nnc2ccccc21
InChIInChI=1S/C14H13N3/c1-11-6-2-3-7-12(11)10-17-14-9-5-4-8-13(14)15-16-17/h2-9H,10H2,1H3
InChIKeySKFGISZABVWDCB-UHFFFAOYSA-N
XLogP2.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methylphenyl)methyl]benzotriazole with MolForge

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

Launch Full Analysis

Related Compounds

1-Methylbenzotriazole
CID 25902
1-Benzyl-1H-benzotriazole
CID 521212
1-Phenyl-1,2,3-benzotriazole
CID 136693
2-(1H-1,2,3-benzotriazol-1-yl)acetonitrile
CID 786302
1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
1-[(4-Fluorophenyl)methyl]benzotriazole
CID 733622
3-(1H-benzotriazol-1-yl)propanenitrile
CID 243414
1-(3-Phenyl-2-propyn-1-yl)-1H-benzotriazole
CID 609250
1-Ethylbenzotriazole
CID 27939
1-Propargyl-1H-benzotriazole
CID 727001
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(m-tolyl)acetamide
CID 863021
1-[(4-Phenylphenyl)methyl]benzotriazole
CID 7504549

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]benzotriazole?
The IUPAC name of 1-[(2-methylphenyl)methyl]benzotriazole (CID 2992166) is 1-[(2-methylphenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]benzotriazole?
The canonical SMILES for 1-[(2-methylphenyl)methyl]benzotriazole is Cc1ccccc1Cn1nnc2ccccc21.
What is the InChIKey of 1-[(2-methylphenyl)methyl]benzotriazole?
The InChIKey is SKFGISZABVWDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-11-6-2-3-7-12(11)10-17-14-9-5-4-8-13(14)15-16-17/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-methylphenyl)methyl]benzotriazole?
1-[(2-methylphenyl)methyl]benzotriazole has a molecular weight of 223.28 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]benzotriazole is sourced from PubChem (CID 2992166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).