IX4
Summary
| Name: | ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide |
| Formula: | C12 H14 N6 O |
| Formal charge: | 0 |
| Formula weight: | 258.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H14N6O/c1-12(17-18-12)5-4-10(19)14-7-9-15-8-3-2-6-13-11(8)16-9/h2-3,6H,4-5,7H2,1H3,(H,14,19)(H,13,15,16) |
| InChIKey | InChI | 1.06 | NHWWLVCZMAELEF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(CCC(=O)NCc2[nH]c3cccnc3n2)N=N1 |
| SMILES | CACTVS | 3.385 | CC1(CCC(=O)NCc2[nH]c3cccnc3n2)N=N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(N=N1)CCC(=O)NCc2[nH]c3cccnc3n2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(N=N1)CCC(=O)NCc2[nH]c3cccnc3n2 |
