About triazine;dihydroiodide
triazine;dihydroiodide (PubChem CID 19094868) has the molecular formula C3H5I2N3
and a molecular weight of 336.90 g/mol. Its IUPAC name is triazine;dihydroiodide.
Molecular Properties
| Compound Name | triazine;dihydroiodide |
|---|
| PubChem CID | 19094868 |
|---|
| Molecular Formula | C3H5I2N3 |
|---|
| Molecular Weight | 336.90 g/mol |
|---|
| Exact Mass | 336.86 |
|---|
| IUPAC Name | triazine;dihydroiodide |
|---|
| SMILES | I.I.c1cnnnc1 |
|---|
| InChI | InChI=1S/C3H3N3.2HI/c1-2-4-6-5-3-1;;/h1-3H;2*1H |
|---|
| InChIKey | YMZYGFXJLQMYLK-UHFFFAOYSA-N |
|---|
| XLogP | 1.11 |
|---|
| TPSA | 38.67 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 8 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 336.90 |
| LogP ≤ 5 | 1.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of triazine;dihydroiodide?
The IUPAC name of triazine;dihydroiodide (CID 19094868) is triazine;dihydroiodide.
What is the SMILES notation for triazine;dihydroiodide?
The canonical SMILES for triazine;dihydroiodide is I.I.c1cnnnc1.
What is the InChIKey of triazine;dihydroiodide?
The InChIKey is YMZYGFXJLQMYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.2HI/c1-2-4-6-5-3-1;;/h1-3H;2*1H.
What are the key properties of triazine;dihydroiodide?
triazine;dihydroiodide has a molecular weight of 336.90 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triazine;dihydroiodide is sourced from PubChem (CID 19094868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).