Base information
| Cat. No. | |
| CAS No. | 111781-55-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H12N4 |
| Molecular Weight | 152.197 |
| Exact Mass | 152.106 |
| XLogP3 | 0.3012 |
| Mr | 49.2941 |
| PSA | 52.74 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C1NCCNC1c1cc[nH]n1 |
