About N'-amino-N-(triazin-4-ylimino)methanimidamide
N'-amino-N-(triazin-4-ylimino)methanimidamide (PubChem CID 67809533) has the molecular formula C4H5N7
and a molecular weight of 151.13 g/mol. Its IUPAC name is N'-amino-N-(triazin-4-ylimino)methanimidamide.
Molecular Properties
| Compound Name | N'-amino-N-(triazin-4-ylimino)methanimidamide |
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| PubChem CID | 67809533 |
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| Molecular Formula | C4H5N7 |
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| Molecular Weight | 151.13 g/mol |
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| Exact Mass | 151.06 |
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| IUPAC Name | N'-amino-N-(triazin-4-ylimino)methanimidamide |
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| SMILES | NN=C/N=N/c1ccnnn1 |
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| InChI | InChI=1S/C4H5N7/c5-6-3-8-9-4-1-2-7-11-10-4/h1-3H,5H2/b6-3?,9-8+ |
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| InChIKey | YLRFYFGDDDUPAW-AHDRYTJRSA-N |
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| XLogP | -0.14 |
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| TPSA | 101.77 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 11 |
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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 | 151.13 |
| LogP ≤ 5 | -0.14 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 N'-amino-N-(triazin-4-ylimino)methanimidamide?
The IUPAC name of N'-amino-N-(triazin-4-ylimino)methanimidamide (CID 67809533) is N'-amino-N-(triazin-4-ylimino)methanimidamide.
What is the SMILES notation for N'-amino-N-(triazin-4-ylimino)methanimidamide?
The canonical SMILES for N'-amino-N-(triazin-4-ylimino)methanimidamide is NN=C/N=N/c1ccnnn1.
What is the InChIKey of N'-amino-N-(triazin-4-ylimino)methanimidamide?
The InChIKey is YLRFYFGDDDUPAW-AHDRYTJRSA-N. The full InChI is InChI=1S/C4H5N7/c5-6-3-8-9-4-1-2-7-11-10-4/h1-3H,5H2/b6-3?,9-8+.
What are the key properties of N'-amino-N-(triazin-4-ylimino)methanimidamide?
N'-amino-N-(triazin-4-ylimino)methanimidamide has a molecular weight of 151.13 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-(triazin-4-ylimino)methanimidamide is sourced from PubChem (CID 67809533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).