QOS
Summary
| Name: | 3,5-dimethylpyrazin-2(1H)-one |
| Formula: | C6 H8 N2 O |
| Formal charge: | 0 |
| Formula weight: | 124.141 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,5-dimethylpyrazin-2(1H)-one |
| OpenEye OEToolkits | 2.0.7 | 3,5-dimethyl-1~{H}-pyrazin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1=C(N=C(C)C(N1)=O)C |
| InChI | InChI | 1.03 | InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9) |
| InChIKey | InChI | 1.03 | AJYKJVCIKQEVCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CNC(=O)C(=N1)C |
| SMILES | CACTVS | 3.385 | CC1=CNC(=O)C(=N1)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CNC(=O)C(=N1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CNC(=O)C(=N1)C |
