About 2-(4-diazenylanilino)ethanol
2-(4-diazenylanilino)ethanol (PubChem CID 24884299) has the molecular formula C8H11N3O
and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-(4-diazenylanilino)ethanol.
Molecular Properties
| Compound Name | 2-(4-diazenylanilino)ethanol |
| PubChem CID | 24884299 |
| Molecular Formula | C8H11N3O |
| Molecular Weight | 165.20 g/mol |
| Exact Mass | 165.09 |
| IUPAC Name | 2-(4-diazenylanilino)ethanol |
| SMILES | [H]/N=N/c1ccc(NCCO)cc1 |
| InChI | InChI=1S/C8H11N3O/c9-11-8-3-1-7(2-4-8)10-5-6-12/h1-4,9-10,12H,5-6H2/b11-9+ |
| InChIKey | WSODWCIKOQLCBG-PKNBQFBNSA-N |
| XLogP | 1.75 |
| TPSA | 68.47 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 165.20 |
| LogP ≤ 5 | 1.75 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-diazenylanilino)ethanol?
The IUPAC name of 2-(4-diazenylanilino)ethanol (CID 24884299) is 2-(4-diazenylanilino)ethanol.
What is the SMILES notation for 2-(4-diazenylanilino)ethanol?
The canonical SMILES for 2-(4-diazenylanilino)ethanol is [H]/N=N/c1ccc(NCCO)cc1.
What is the InChIKey of 2-(4-diazenylanilino)ethanol?
The InChIKey is WSODWCIKOQLCBG-PKNBQFBNSA-N. The full InChI is InChI=1S/C8H11N3O/c9-11-8-3-1-7(2-4-8)10-5-6-12/h1-4,9-10,12H,5-6H2/b11-9+.
What are the key properties of 2-(4-diazenylanilino)ethanol?
2-(4-diazenylanilino)ethanol has a molecular weight of 165.20 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diazenylanilino)ethanol is sourced from PubChem (CID 24884299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).