About 9H-indeno[2,1-d]triazin-6-amine
9H-indeno[2,1-d]triazin-6-amine (PubChem CID 141199073) has the molecular formula C10H8N4
and a molecular weight of 184.20 g/mol. Its IUPAC name is 9H-indeno[2,1-d]triazin-6-amine.
Molecular Properties
| Compound Name | 9H-indeno[2,1-d]triazin-6-amine |
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| PubChem CID | 141199073 |
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| Molecular Formula | C10H8N4 |
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| Molecular Weight | 184.20 g/mol |
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| Exact Mass | 184.07 |
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| IUPAC Name | 9H-indeno[2,1-d]triazin-6-amine |
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| SMILES | Nc1ccc2c(c1)-c1cnnnc1C2 |
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| InChI | InChI=1S/C10H8N4/c11-7-2-1-6-3-10-9(8(6)4-7)5-12-14-13-10/h1-2,4-5H,3,11H2 |
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| InChIKey | BVBFDBQUTVBWHZ-UHFFFAOYSA-N |
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| XLogP | 1.02 |
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| TPSA | 64.69 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
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| Heavy Atoms | 14 |
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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 | 184.20 |
| LogP ≤ 5 | 1.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 9H-indeno[2,1-d]triazin-6-amine?
The IUPAC name of 9H-indeno[2,1-d]triazin-6-amine (CID 141199073) is 9H-indeno[2,1-d]triazin-6-amine.
What is the SMILES notation for 9H-indeno[2,1-d]triazin-6-amine?
The canonical SMILES for 9H-indeno[2,1-d]triazin-6-amine is Nc1ccc2c(c1)-c1cnnnc1C2.
What is the InChIKey of 9H-indeno[2,1-d]triazin-6-amine?
The InChIKey is BVBFDBQUTVBWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-7-2-1-6-3-10-9(8(6)4-7)5-12-14-13-10/h1-2,4-5H,3,11H2.
What are the key properties of 9H-indeno[2,1-d]triazin-6-amine?
9H-indeno[2,1-d]triazin-6-amine has a molecular weight of 184.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-indeno[2,1-d]triazin-6-amine is sourced from PubChem (CID 141199073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).