Base information
| Cat. No. | |
| CAS No. | 1497265-48-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C3H3N9O |
| Molecular Weight | 181.116 |
| Exact Mass | 181.046 |
| XLogP3 | -2.0606 |
| Mr | 35.7809 |
| PSA | 141.51 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | ON=C(c1n[nH]nn1)c1n[nH]nn1 |
