Base information
| Cat. No. | |
| CAS No. | 116476-98-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8N6 |
| Molecular Weight | 164.168 |
| Exact Mass | 164.081 |
| XLogP3 | -0.4302 |
| Mr | 40.454 |
| PSA | 61.42 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | n1cnn(c1)CCn1ncnc1 |
