3D7
Summary
| Name: | 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one |
| Formula: | C9 H10 N4 O |
| Formal charge: | 0 |
| Formula weight: | 190.202 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 3-azanyl-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2NC=C(c1cn(nc1)C)C=C2N |
| InChI | InChI | 1.03 | InChI=1S/C9H10N4O/c1-13-5-7(4-12-13)6-2-8(10)9(14)11-3-6/h2-5H,10H2,1H3,(H,11,14) |
| InChIKey | InChI | 1.03 | ZGGRJKLRPVNTDT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)C2=CNC(=O)C(=C2)N |
| SMILES | CACTVS | 3.385 | Cn1cc(cn1)C2=CNC(=O)C(=C2)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cn1cc(cn1)C2=CNC(=O)C(=C2)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cn1cc(cn1)C2=CNC(=O)C(=C2)N |
