N-(benzotriazol-1-ylmethyl)aniline

C13H12N4 — CID 569724

IUPACN-(benzotriazol-1-ylmethyl)aniline
SMILESc1ccc(NCn2nnc3ccccc32)cc1
InChIInChI=1S/C13H12N4/c1-2-6-11(7-3-1)14-10-17-13-9-5-4-8-12(13)15-16-17/h1-9,14H,10H2
InChIKeyXEZLZOGOVRJQMO-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.50
Rot. Bonds3

About N-(benzotriazol-1-ylmethyl)aniline

N-(benzotriazol-1-ylmethyl)aniline (PubChem CID 569724) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-(benzotriazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(benzotriazol-1-ylmethyl)aniline
PubChem CID569724
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-(benzotriazol-1-ylmethyl)aniline
SMILESc1ccc(NCn2nnc3ccccc32)cc1
InChIInChI=1S/C13H12N4/c1-2-6-11(7-3-1)14-10-17-13-9-5-4-8-12(13)15-16-17/h1-9,14H,10H2
InChIKeyXEZLZOGOVRJQMO-UHFFFAOYSA-N
XLogP2.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(benzotriazol-1-ylmethyl)aniline 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 N-(benzotriazol-1-ylmethyl)aniline?
The IUPAC name of N-(benzotriazol-1-ylmethyl)aniline (CID 569724) is N-(benzotriazol-1-ylmethyl)aniline.
What is the SMILES notation for N-(benzotriazol-1-ylmethyl)aniline?
The canonical SMILES for N-(benzotriazol-1-ylmethyl)aniline is c1ccc(NCn2nnc3ccccc32)cc1.
What is the InChIKey of N-(benzotriazol-1-ylmethyl)aniline?
The InChIKey is XEZLZOGOVRJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-6-11(7-3-1)14-10-17-13-9-5-4-8-12(13)15-16-17/h1-9,14H,10H2.
What are the key properties of N-(benzotriazol-1-ylmethyl)aniline?
N-(benzotriazol-1-ylmethyl)aniline has a molecular weight of 224.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-ylmethyl)aniline is sourced from PubChem (CID 569724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).