About sodium;acetonitrile;azide
sodium;acetonitrile;azide (PubChem CID 159863244) has the molecular formula C2H3N4Na
and a molecular weight of 106.06 g/mol. Its IUPAC name is sodium;acetonitrile;azide.
Molecular Properties
| Compound Name | sodium;acetonitrile;azide |
|---|
| PubChem CID | 159863244 |
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| Molecular Formula | C2H3N4Na |
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| Molecular Weight | 106.06 g/mol |
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| Exact Mass | 106.03 |
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| IUPAC Name | sodium;acetonitrile;azide |
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| SMILES | CC#N.[N-]=[N+]=[N-].[Na+] |
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| InChI | InChI=1S/C2H3N.N3.Na/c1-2-3;1-3-2;/h1H3;;/q;-1;+1 |
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| InChIKey | NRKJMTRGCIWQEK-UHFFFAOYSA-N |
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| XLogP | -1.60 |
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| TPSA | 82.49 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 7 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 106.06 |
| LogP ≤ 5 | -1.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of sodium;acetonitrile;azide?
The IUPAC name of sodium;acetonitrile;azide (CID 159863244) is sodium;acetonitrile;azide.
What is the SMILES notation for sodium;acetonitrile;azide?
The canonical SMILES for sodium;acetonitrile;azide is CC#N.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;acetonitrile;azide?
The InChIKey is NRKJMTRGCIWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.N3.Na/c1-2-3;1-3-2;/h1H3;;/q;-1;+1.
What are the key properties of sodium;acetonitrile;azide?
sodium;acetonitrile;azide has a molecular weight of 106.06 g/mol, XLogP of -1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetonitrile;azide is sourced from PubChem (CID 159863244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).