Base information
| Cat. No. | |
| CAS No. | 1539-42-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H13N3 |
| Molecular Weight | 199.252 |
| Exact Mass | 199.111 |
| XLogP3 | 2.1573 |
| Mr | 59.0937 |
| PSA | 37.81 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | c1ccc(nc1)CNCc1ccccn1 |
