Base information
| Cat. No. | |
| CAS No. | 66521-66-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H8N4 |
| Molecular Weight | 172.187 |
| Exact Mass | 172.075 |
| XLogP3 | 1.702 |
| Mr | 49.6674 |
| PSA | 64.69 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Nc1nccc(n1)c1cccnc1 |
