About diiminoazanium
diiminoazanium (PubChem CID 175492743) has the molecular formula H16N24+8
and a molecular weight of 352.30 g/mol. Its IUPAC name is diiminoazanium.
Molecular Properties
| Compound Name | diiminoazanium |
|---|
| PubChem CID | 175492743 |
|---|
| Molecular Formula | H16N24+8 |
|---|
| Molecular Weight | 352.30 g/mol |
|---|
| Exact Mass | 352.19 |
|---|
| IUPAC Name | diiminoazanium |
|---|
| SMILES | N=[N+]=N.N=[N+]=N.N=[N+]=N.N=[N+]=N.N=[N+]=N.N=[N+]=N.N=[N+]=N.N=[N+]=N |
|---|
| InChI | InChI=1S/8H2N3/c8*1-3-2/h8*1-2H/q8*+1 |
|---|
| InChIKey | LUAYUDBVGOGCLQ-UHFFFAOYSA-N |
|---|
| XLogP | 0.92 |
|---|
| TPSA | 494.40 Ų |
|---|
| H-Bond Donors | 16 |
|---|
| H-Bond Acceptors | 16 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 24 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 352.30 |
| LogP ≤ 5 | 0.92 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', '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 diiminoazanium?
The IUPAC name of diiminoazanium (CID 175492743) is diiminoazanium.
What is the SMILES notation for diiminoazanium?
The canonical SMILES for diiminoazanium is N=[N+]=N.N=[N+]=N.N=[N+]=N.N=[N+]=N.N=[N+]=N.N=[N+]=N.N=[N+]=N.N=[N+]=N.
What is the InChIKey of diiminoazanium?
The InChIKey is LUAYUDBVGOGCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/8H2N3/c8*1-3-2/h8*1-2H/q8*+1.
What are the key properties of diiminoazanium?
diiminoazanium has a molecular weight of 352.30 g/mol, XLogP of 0.92, 0 rotatable bonds, 16 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for diiminoazanium is sourced from PubChem (CID 175492743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).