7WZ
Summary
| Name: | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one |
| Formula: | C12 H13 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 264.711 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 5-[[4-(aminomethyl)phenyl]amino]-4-chloranyl-2-methyl-pyridazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN1N=CC(Nc2ccc(CN)cc2)=C(Cl)C1=O |
| InChI | InChI | 1.03 | InChI=1S/C12H13ClN4O/c1-17-12(18)11(13)10(7-15-17)16-9-4-2-8(6-14)3-5-9/h2-5,7,16H,6,14H2,1H3 |
| InChIKey | InChI | 1.03 | QKQSWFRGHKVLDP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N=CC(=C(Cl)C1=O)Nc2ccc(CN)cc2 |
| SMILES | CACTVS | 3.385 | CN1N=CC(=C(Cl)C1=O)Nc2ccc(CN)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1C(=O)C(=C(C=N1)Nc2ccc(cc2)CN)Cl |
