BXE
Summary
| Name: | [3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium |
| Formula: | C4 H9 N6 O |
| Formal charge: | 1 |
| Formula weight: | 157.154 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1 |
| InChIKey | InChI | 1.03 | YTOFZWXGVLOWNC-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+]NC(=O)CCc1n[nH]nn1 |
| SMILES | CACTVS | 3.385 | [NH3+]NC(=O)CCc1n[nH]nn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C(CC(=O)N[NH3+])c1n[nH]nn1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | C(CC(=O)N[NH3+])c1n[nH]nn1 |
