About 2-cyano-1-iminoguanidine
2-cyano-1-iminoguanidine (PubChem CID 54021444) has the molecular formula C2H3N5
and a molecular weight of 97.08 g/mol. Its IUPAC name is 2-cyano-1-iminoguanidine.
Molecular Properties
| Compound Name | 2-cyano-1-iminoguanidine |
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| PubChem CID | 54021444 |
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| Molecular Formula | C2H3N5 |
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| Molecular Weight | 97.08 g/mol |
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| Exact Mass | 97.04 |
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| IUPAC Name | 2-cyano-1-iminoguanidine |
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| SMILES | [H]/N=N/C(N)=N\C#N |
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| InChI | InChI=1S/C2H3N5/c3-1-6-2(4)7-5/h5H,(H2,4,6)/b7-5+ |
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| InChIKey | KZEVRMFLLFCYMI-FNORWQNLSA-N |
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| XLogP | -0.19 |
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| TPSA | 98.38 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 3 |
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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 |
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| MW ≤ 500 | 97.08 |
| LogP ≤ 5 | -0.19 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-cyano-1-iminoguanidine?
The IUPAC name of 2-cyano-1-iminoguanidine (CID 54021444) is 2-cyano-1-iminoguanidine.
What is the SMILES notation for 2-cyano-1-iminoguanidine?
The canonical SMILES for 2-cyano-1-iminoguanidine is [H]/N=N/C(N)=N\C#N.
What is the InChIKey of 2-cyano-1-iminoguanidine?
The InChIKey is KZEVRMFLLFCYMI-FNORWQNLSA-N. The full InChI is InChI=1S/C2H3N5/c3-1-6-2(4)7-5/h5H,(H2,4,6)/b7-5+.
What are the key properties of 2-cyano-1-iminoguanidine?
2-cyano-1-iminoguanidine has a molecular weight of 97.08 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-1-iminoguanidine is sourced from PubChem (CID 54021444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).