About azidomethane
azidomethane (PubChem CID 123372880) has the molecular formula C3H9N9
and a molecular weight of 171.17 g/mol. Its IUPAC name is azidomethane.
Molecular Properties
| Compound Name | azidomethane |
|---|
| PubChem CID | 123372880 |
|---|
| Molecular Formula | C3H9N9 |
|---|
| Molecular Weight | 171.17 g/mol |
|---|
| Exact Mass | 171.10 |
|---|
| IUPAC Name | azidomethane |
|---|
| SMILES | CN=[N+]=[N-].CN=[N+]=[N-].CN=[N+]=[N-] |
|---|
| InChI | InChI=1S/3CH3N3/c3*1-3-4-2/h3*1H3 |
|---|
| InChIKey | QKAMZZGXENWGCL-UHFFFAOYSA-N |
|---|
| XLogP | 2.78 |
|---|
| TPSA | 146.28 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 12 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 171.17 |
| LogP ≤ 5 | 2.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
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 azidomethane?
The IUPAC name of azidomethane (CID 123372880) is azidomethane.
What is the SMILES notation for azidomethane?
The canonical SMILES for azidomethane is CN=[N+]=[N-].CN=[N+]=[N-].CN=[N+]=[N-].
What is the InChIKey of azidomethane?
The InChIKey is QKAMZZGXENWGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH3N3/c3*1-3-4-2/h3*1H3.
What are the key properties of azidomethane?
azidomethane has a molecular weight of 171.17 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azidomethane is sourced from PubChem (CID 123372880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).