A1H
Summary
| Name: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one |
| Formula: | C13 H14 N8 O2 |
| Formal charge: | 0 |
| Formula weight: | 314.303 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)-1~{H}-pyrazol-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2 |
| InChIKey | InChI | 1.03 | IJMBOKOTALXLKS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1N(NC=C1n2ccnn2)c3cc(ncn3)N4CCOCC4 |
| SMILES | CACTVS | 3.385 | O=C1N(NC=C1n2ccnn2)c3cc(ncn3)N4CCOCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cn(nn1)C2=CNN(C2=O)c3cc(ncn3)N4CCOCC4 |
