KCF
Summary
| Name: | 4-bromanyl-~{N},~{N}-dimethyl-1$l^{4},7,9-triazabicyclo[4.3.0]nona-1,3,5-trien-8-amine |
| Formula: | C8 H9 Br N4 |
| Formal charge: | 0 |
| Formula weight: | 241.088 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-7-bromo-N,N-dimethyl[1,2,4]triazolo[1,5-a]pyridin-2-amine |
| OpenEye OEToolkits | 2.0.7 | 7-bromanyl-~{N},~{N}-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C)c1nc2cc(Br)ccn2n1 |
| InChI | InChI | 1.03 | InChI=1S/C8H9BrN4/c1-12(2)8-10-7-5-6(9)3-4-13(7)11-8/h3-5H,1-2H3 |
| InChIKey | InChI | 1.03 | JATIVHGFJAULAI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1nn2ccc(Br)cc2n1 |
| SMILES | CACTVS | 3.385 | CN(C)c1nn2ccc(Br)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1nc2cc(ccn2n1)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1nc2cc(ccn2n1)Br |
