About diazenylmethylcyanamide
diazenylmethylcyanamide (PubChem CID 55288040) has the molecular formula C2H4N4
and a molecular weight of 84.08 g/mol. Its IUPAC name is diazenylmethylcyanamide.
Molecular Properties
| Compound Name | diazenylmethylcyanamide |
|---|
| PubChem CID | 55288040 |
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| Molecular Formula | C2H4N4 |
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| Molecular Weight | 84.08 g/mol |
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| Exact Mass | 84.04 |
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| IUPAC Name | diazenylmethylcyanamide |
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| SMILES | [H]/N=N/CNC#N |
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| InChI | InChI=1S/C2H4N4/c3-1-5-2-6-4/h4-5H,2H2/b6-4+ |
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| InChIKey | TUTJZRDAAGYEDK-GQCTYLIASA-N |
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| XLogP | 0.05 |
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| TPSA | 72.03 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 84.08 |
| LogP ≤ 5 | 0.05 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of diazenylmethylcyanamide?
The IUPAC name of diazenylmethylcyanamide (CID 55288040) is diazenylmethylcyanamide.
What is the SMILES notation for diazenylmethylcyanamide?
The canonical SMILES for diazenylmethylcyanamide is [H]/N=N/CNC#N.
What is the InChIKey of diazenylmethylcyanamide?
The InChIKey is TUTJZRDAAGYEDK-GQCTYLIASA-N. The full InChI is InChI=1S/C2H4N4/c3-1-5-2-6-4/h4-5H,2H2/b6-4+.
What are the key properties of diazenylmethylcyanamide?
diazenylmethylcyanamide has a molecular weight of 84.08 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazenylmethylcyanamide is sourced from PubChem (CID 55288040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).