Base information
| Cat. No. | |
| CAS No. | 111781-56-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13N3 |
| Molecular Weight | 163.22 |
| Exact Mass | 163.111 |
| XLogP3 | 0.9731 |
| Mr | 54.9434 |
| PSA | 36.95 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C1CNC(CN1)c1cccnc1 |
