YBV
Summary
| Name: | 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one |
| Formula: | C8 H11 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 214.652 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H11ClN4O/c1-13-8(14)7(9)6(4-11-13)12-5-2-10-3-5/h4-5,10,12H,2-3H2,1H3 |
| InChIKey | InChI | 1.03 | GZHCENKGUMJQPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N=CC(=C(Cl)C1=O)NC2CNC2 |
| SMILES | CACTVS | 3.385 | CN1N=CC(=C(Cl)C1=O)NC2CNC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)NC2CNC2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)NC2CNC2)Cl |
