4,5-dihydro-2H-benzo[e]benzotriazole

C10H9N3 — CID 132546523

IUPAC4,5-dihydro-2H-benzo[e]benzotriazole
SMILESc1ccc2c(c1)CCc1n[nH]nc1-2
InChIInChI=1S/C10H9N3/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-4H,5-6H2,(H,11,12,13)
InChIKeyROXJWNCRLLSFLA-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.57
Rot. Bonds

About 4,5-dihydro-2H-benzo[e]benzotriazole

4,5-dihydro-2H-benzo[e]benzotriazole (PubChem CID 132546523) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4,5-dihydro-2H-benzo[e]benzotriazole.

Molecular Properties

Compound Name4,5-dihydro-2H-benzo[e]benzotriazole
PubChem CID132546523
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name4,5-dihydro-2H-benzo[e]benzotriazole
SMILESc1ccc2c(c1)CCc1n[nH]nc1-2
InChIInChI=1S/C10H9N3/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-4H,5-6H2,(H,11,12,13)
InChIKeyROXJWNCRLLSFLA-UHFFFAOYSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5-dihydro-2H-benzo[e]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 4,5-dihydro-2H-benzo[e]benzotriazole?
The IUPAC name of 4,5-dihydro-2H-benzo[e]benzotriazole (CID 132546523) is 4,5-dihydro-2H-benzo[e]benzotriazole.
What is the SMILES notation for 4,5-dihydro-2H-benzo[e]benzotriazole?
The canonical SMILES for 4,5-dihydro-2H-benzo[e]benzotriazole is c1ccc2c(c1)CCc1n[nH]nc1-2.
What is the InChIKey of 4,5-dihydro-2H-benzo[e]benzotriazole?
The InChIKey is ROXJWNCRLLSFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-4-8-7(3-1)5-6-9-10(8)12-13-11-9/h1-4H,5-6H2,(H,11,12,13).
What are the key properties of 4,5-dihydro-2H-benzo[e]benzotriazole?
4,5-dihydro-2H-benzo[e]benzotriazole has a molecular weight of 171.20 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-2H-benzo[e]benzotriazole is sourced from PubChem (CID 132546523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).