81X
Summary
| Name: | 4-(aminomethyl)phthalazin-1(2H)-one |
| Formula: | C9 H9 N3 O |
| Formal charge: | 0 |
| Formula weight: | 175.187 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(aminomethyl)phthalazin-1(2H)-one |
| OpenEye OEToolkits | 2.0.7 | 4-(aminomethyl)-2~{H}-phthalazin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NN=C(CN)c2ccccc12 |
| InChI | InChI | 1.03 | InChI=1S/C9H9N3O/c10-5-8-6-3-1-2-4-7(6)9(13)12-11-8/h1-4H,5,10H2,(H,12,13) |
| InChIKey | InChI | 1.03 | BCORFYODLSYUNB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC1=NNC(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | NCC1=NNC(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=NNC2=O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=NNC2=O)CN |
