About aminoazanium chloride
aminoazanium chloride (PubChem CID 11457652) has the molecular formula H5ClN2
and a molecular weight of 68.51 g/mol. Its IUPAC name is aminoazanium chloride.
Molecular Properties
| Compound Name | aminoazanium chloride |
|---|
| PubChem CID | 11457652 |
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| Molecular Formula | H5ClN2 |
|---|
| Molecular Weight | 68.51 g/mol |
|---|
| Exact Mass | 68.01 |
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| IUPAC Name | aminoazanium chloride |
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| SMILES | N[NH3+].[Cl-] |
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| InChI | InChI=1S/ClH.H4N2/c;1-2/h1H;1-2H2 |
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| InChIKey | BIVUUOPIAYRCAP-UHFFFAOYSA-N |
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| XLogP | -4.89 |
|---|
| TPSA | 53.66 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 1 |
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| Rotatable Bonds | |
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| Heavy Atoms | 3 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 68.51 |
| LogP ≤ 5 | -4.89 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'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 aminoazanium chloride?
The IUPAC name of aminoazanium chloride (CID 11457652) is aminoazanium chloride.
What is the SMILES notation for aminoazanium chloride?
The canonical SMILES for aminoazanium chloride is N[NH3+].[Cl-].
What is the InChIKey of aminoazanium chloride?
The InChIKey is BIVUUOPIAYRCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.H4N2/c;1-2/h1H;1-2H2.
What are the key properties of aminoazanium chloride?
aminoazanium chloride has a molecular weight of 68.51 g/mol, XLogP of -4.89, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aminoazanium chloride is sourced from PubChem (CID 11457652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).