About 2-[1-(aminodiazenyl)ethyl]piperazine
2-[1-(aminodiazenyl)ethyl]piperazine (PubChem CID 118049635) has the molecular formula C6H15N5
and a molecular weight of 157.22 g/mol. Its IUPAC name is 2-[1-(aminodiazenyl)ethyl]piperazine.
Molecular Properties
| Compound Name | 2-[1-(aminodiazenyl)ethyl]piperazine |
| PubChem CID | 118049635 |
| Molecular Formula | C6H15N5 |
| Molecular Weight | 157.22 g/mol |
| Exact Mass | 157.13 |
| IUPAC Name | 2-[1-(aminodiazenyl)ethyl]piperazine |
| SMILES | CC(/N=N/N)C1CNCCN1 |
| InChI | InChI=1S/C6H15N5/c1-5(10-11-7)6-4-8-2-3-9-6/h5-6,8-9H,2-4H2,1H3,(H2,7,10) |
| InChIKey | DGYZGDBDCOKQMS-UHFFFAOYSA-N |
| XLogP | -0.74 |
| TPSA | 74.80 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 157.22 |
| LogP ≤ 5 | -0.74 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[1-(aminodiazenyl)ethyl]piperazine?
The IUPAC name of 2-[1-(aminodiazenyl)ethyl]piperazine (CID 118049635) is 2-[1-(aminodiazenyl)ethyl]piperazine.
What is the SMILES notation for 2-[1-(aminodiazenyl)ethyl]piperazine?
The canonical SMILES for 2-[1-(aminodiazenyl)ethyl]piperazine is CC(/N=N/N)C1CNCCN1.
What is the InChIKey of 2-[1-(aminodiazenyl)ethyl]piperazine?
The InChIKey is DGYZGDBDCOKQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N5/c1-5(10-11-7)6-4-8-2-3-9-6/h5-6,8-9H,2-4H2,1H3,(H2,7,10).
What are the key properties of 2-[1-(aminodiazenyl)ethyl]piperazine?
2-[1-(aminodiazenyl)ethyl]piperazine has a molecular weight of 157.22 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminodiazenyl)ethyl]piperazine is sourced from PubChem (CID 118049635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).