620
Summary
| Name: | N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine |
| Formula: | C15 H16 N6 O |
| Formal charge: | 0 |
| Formula weight: | 296.327 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine |
| OpenEye OEToolkits | 1.9.2 | N1-[(3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrazole-1,5-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3nnn(NCc2cc(OCc1ccccc1)ccc2)c3N |
| InChI | InChI | 1.03 | InChI=1S/C15H16N6O/c16-15-18-19-20-21(15)17-10-13-7-4-8-14(9-13)22-11-12-5-2-1-3-6-12/h1-9,17H,10-11H2,(H2,16,18,20) |
| InChIKey | InChI | 1.03 | XCHYCELRMQJATG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nnnn1NCc2cccc(OCc3ccccc3)c2 |
| SMILES | CACTVS | 3.385 | Nc1nnnn1NCc2cccc(OCc3ccccc3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)COc2cccc(c2)CNn3c(nnn3)N |
