About pyrazino[1,2-a]azepine;hydrochloride
pyrazino[1,2-a]azepine;hydrochloride (PubChem CID 67936404) has the molecular formula C9H9ClN2
and a molecular weight of 180.64 g/mol. Its IUPAC name is pyrazino[1,2-a]azepine;hydrochloride.
Molecular Properties
| Compound Name | pyrazino[1,2-a]azepine;hydrochloride |
|---|
| PubChem CID | 67936404 |
|---|
| Molecular Formula | C9H9ClN2 |
|---|
| Molecular Weight | 180.64 g/mol |
|---|
| Exact Mass | 180.05 |
|---|
| IUPAC Name | pyrazino[1,2-a]azepine;hydrochloride |
|---|
| SMILES | C1=CC=C2C=NC=CN2C=C1.Cl |
|---|
| InChI | InChI=1S/C9H8N2.ClH/c1-2-4-9-8-10-5-7-11(9)6-3-1;/h1-8H;1H |
|---|
| InChIKey | FKGLWJGIKFQAFM-UHFFFAOYSA-N |
|---|
| XLogP | 2.23 |
|---|
| TPSA | 15.60 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 12 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 180.64 |
| LogP ≤ 5 | 2.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Analyze pyrazino[1,2-a]azepine;hydrochloride 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 pyrazino[1,2-a]azepine;hydrochloride?
The IUPAC name of pyrazino[1,2-a]azepine;hydrochloride (CID 67936404) is pyrazino[1,2-a]azepine;hydrochloride.
What is the SMILES notation for pyrazino[1,2-a]azepine;hydrochloride?
The canonical SMILES for pyrazino[1,2-a]azepine;hydrochloride is C1=CC=C2C=NC=CN2C=C1.Cl.
What is the InChIKey of pyrazino[1,2-a]azepine;hydrochloride?
The InChIKey is FKGLWJGIKFQAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.ClH/c1-2-4-9-8-10-5-7-11(9)6-3-1;/h1-8H;1H.
What are the key properties of pyrazino[1,2-a]azepine;hydrochloride?
pyrazino[1,2-a]azepine;hydrochloride has a molecular weight of 180.64 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazino[1,2-a]azepine;hydrochloride is sourced from PubChem (CID 67936404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).