imidazo[4,5-d]azepine

C7H5N3 — CID 68514639

IUPACimidazo[4,5-d]azepine
SMILESc1cc2ncnc-2ccn1
InChIInChI=1S/C7H5N3/c1-3-8-4-2-7-6(1)9-5-10-7/h1-5H
InChIKeyFXSVRLJPNNSKJV-UHFFFAOYSA-N
MW131.14 g/mol
LogP0.98
Rot. Bonds

About imidazo[4,5-d]azepine

imidazo[4,5-d]azepine (PubChem CID 68514639) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is imidazo[4,5-d]azepine.

Molecular Properties

Compound Nameimidazo[4,5-d]azepine
PubChem CID68514639
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Nameimidazo[4,5-d]azepine
SMILESc1cc2ncnc-2ccn1
InChIInChI=1S/C7H5N3/c1-3-8-4-2-7-6(1)9-5-10-7/h1-5H
InChIKeyFXSVRLJPNNSKJV-UHFFFAOYSA-N
XLogP0.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze imidazo[4,5-d]azepine 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 imidazo[4,5-d]azepine?
The IUPAC name of imidazo[4,5-d]azepine (CID 68514639) is imidazo[4,5-d]azepine.
What is the SMILES notation for imidazo[4,5-d]azepine?
The canonical SMILES for imidazo[4,5-d]azepine is c1cc2ncnc-2ccn1.
What is the InChIKey of imidazo[4,5-d]azepine?
The InChIKey is FXSVRLJPNNSKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c1-3-8-4-2-7-6(1)9-5-10-7/h1-5H.
What are the key properties of imidazo[4,5-d]azepine?
imidazo[4,5-d]azepine has a molecular weight of 131.14 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-d]azepine is sourced from PubChem (CID 68514639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).