Base information
| Cat. No. | |
| CAS No. | 54-92-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H13N3O |
| Molecular Weight | 179.219 |
| Exact Mass | 179.106 |
| XLogP3 | 1.5062 |
| Mr | 49.6489 |
| PSA | 54.02 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CC(NNC(=O)c1ccncc1)C |
