1-[1-(benzotriazol-1-yl)ethyl]benzotriazole

C14H12N6 — CID 3813500

IUPAC1-[1-(benzotriazol-1-yl)ethyl]benzotriazole
SMILESCC(n1nnc2ccccc21)n1nnc2ccccc21
InChIInChI=1S/C14H12N6/c1-10(19-13-8-4-2-6-11(13)15-17-19)20-14-9-5-3-7-12(14)16-18-20/h2-10H,1H3
InChIKeyQLXHLJVEFKKBNC-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.24
Rot. Bonds2

About 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole

1-[1-(benzotriazol-1-yl)ethyl]benzotriazole (PubChem CID 3813500) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole.

Molecular Properties

Compound Name1-[1-(benzotriazol-1-yl)ethyl]benzotriazole
PubChem CID3813500
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name1-[1-(benzotriazol-1-yl)ethyl]benzotriazole
SMILESCC(n1nnc2ccccc21)n1nnc2ccccc21
InChIInChI=1S/C14H12N6/c1-10(19-13-8-4-2-6-11(13)15-17-19)20-14-9-5-3-7-12(14)16-18-20/h2-10H,1H3
InChIKeyQLXHLJVEFKKBNC-UHFFFAOYSA-N
XLogP2.24
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole 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 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole?
The IUPAC name of 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole (CID 3813500) is 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole.
What is the SMILES notation for 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole?
The canonical SMILES for 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole is CC(n1nnc2ccccc21)n1nnc2ccccc21.
What is the InChIKey of 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole?
The InChIKey is QLXHLJVEFKKBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-10(19-13-8-4-2-6-11(13)15-17-19)20-14-9-5-3-7-12(14)16-18-20/h2-10H,1H3.
What are the key properties of 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole?
1-[1-(benzotriazol-1-yl)ethyl]benzotriazole has a molecular weight of 264.29 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzotriazol-1-yl)ethyl]benzotriazole is sourced from PubChem (CID 3813500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).