9QC
Summary
| Name: | 5-azanyl-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Formula: | C4 H4 N6 O |
| Formal charge: | 0 |
| Formula weight: | 152.114 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-azanyl-3,6-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C4H4N6O/c5-4-6-2-1(3(11)7-4)8-10-9-2/h(H4,5,6,7,8,9,10,11) |
| InChIKey | InChI | 1.03 | LPXQRXLUHJKZIE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=Nc2[nH]nnc2C(=O)N1 |
| SMILES | CACTVS | 3.385 | NC1=Nc2[nH]nnc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c12c([nH]nn1)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c12c([nH]nn1)N=C(NC2=O)N |
