benzo[d][1,2]benzodiazepin-6-amine

C13H11N3 — CID 163605435

IUPACbenzo[d][1,2]benzodiazepin-6-amine
SMILESNN1C=c2ccccc2=c2ccccc2=N1
InChIInChI=1S/C13H11N3/c14-16-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15-16/h1-9H,14H2
InChIKeyHBJADMOZMIEEBW-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.44
Rot. Bonds

About benzo[d][1,2]benzodiazepin-6-amine

benzo[d][1,2]benzodiazepin-6-amine (PubChem CID 163605435) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is benzo[d][1,2]benzodiazepin-6-amine.

Molecular Properties

Compound Namebenzo[d][1,2]benzodiazepin-6-amine
PubChem CID163605435
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Namebenzo[d][1,2]benzodiazepin-6-amine
SMILESNN1C=c2ccccc2=c2ccccc2=N1
InChIInChI=1S/C13H11N3/c14-16-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15-16/h1-9H,14H2
InChIKeyHBJADMOZMIEEBW-UHFFFAOYSA-N
XLogP0.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze benzo[d][1,2]benzodiazepin-6-amine 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 benzo[d][1,2]benzodiazepin-6-amine?
The IUPAC name of benzo[d][1,2]benzodiazepin-6-amine (CID 163605435) is benzo[d][1,2]benzodiazepin-6-amine.
What is the SMILES notation for benzo[d][1,2]benzodiazepin-6-amine?
The canonical SMILES for benzo[d][1,2]benzodiazepin-6-amine is NN1C=c2ccccc2=c2ccccc2=N1.
What is the InChIKey of benzo[d][1,2]benzodiazepin-6-amine?
The InChIKey is HBJADMOZMIEEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-16-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15-16/h1-9H,14H2.
What are the key properties of benzo[d][1,2]benzodiazepin-6-amine?
benzo[d][1,2]benzodiazepin-6-amine has a molecular weight of 209.25 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][1,2]benzodiazepin-6-amine is sourced from PubChem (CID 163605435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).