29N
Summary
| Name: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one |
| Synonyms: | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)triprop-2-en-1-one, bound form |
| Formula: | C12 H21 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 255.313 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one |
| OpenEye OEToolkits | 1.7.6 | 1-[3,5-di(propanoyl)-1,3,5-triazinan-1-yl]propan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N1CN(C(=O)CC)CN(C(=O)CC)C1)CC |
| InChI | InChI | 1.03 | InChI=1S/C12H21N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-9H2,1-3H3 |
| InChIKey | InChI | 1.03 | AEPJNZPJFYDQLM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC |
| SMILES | CACTVS | 3.370 | CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC |
