KHW
Summary
| Name: | [(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane |
| Formula: | C12 H18 N6 |
| Formal charge: | 0 |
| Formula weight: | 246.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H18N6/c1-2-6-11(14-13)12-15-16-17-18(12)9-10-7-4-3-5-8-10/h3-5,7-8,11,14H,2,6,9,13H2,1H3/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | RXFMIKHNJVMPGC-LLVKDONJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@H](NN)c1nnnn1Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | CCC[CH](NN)c1nnnn1Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@H](c1nnnn1Cc2ccccc2)NN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(c1nnnn1Cc2ccccc2)NN |
