BTY
Summary
| Name: | 4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one |
| Formula: | C6 H7 N5 O |
| Formal charge: | 0 |
| Formula weight: | 165.153 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one |
| OpenEye OEToolkits | 1.5.0 | 4-amino-7-methyl-1H-pyrazolo[1,5-e][1,3,5]triazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(n2nc(cc2N1)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cc2NC(=O)N=C(N)n2n1 |
| SMILES | CACTVS | 3.341 | Cc1cc2NC(=O)N=C(N)n2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cc2n(n1)C(=NC(=O)N2)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cc2n(n1)C(=NC(=O)N2)N |
| InChI | InChI | 1.03 | InChI=1S/C6H7N5O/c1-3-2-4-8-6(12)9-5(7)11(4)10-3/h2H,1H3,(H3,7,8,9,12) |
| InChIKey | InChI | 1.03 | AIOHMASJJVGZOY-UHFFFAOYSA-N |
