4XF
Summary
| Name: | (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium |
| Formula: | C8 H13 N4 O |
| Formal charge: | 1 |
| Formula weight: | 181.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium |
| OpenEye OEToolkits | 1.9.2 | [(2S)-1-[(6-azanylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC([NH3+])C(=O)Nc1cccc(n1)N |
| InChI | InChI | 1.03 | InChI=1S/C8H12N4O/c1-5(9)8(13)12-7-4-2-3-6(10)11-7/h2-5H,9H2,1H3,(H3,10,11,12,13)/p+1/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | LRIKRUHIPRIMEM-YFKPBYRVSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]([NH3+])C(=O)Nc1cccc(N)n1 |
| SMILES | CACTVS | 3.385 | C[CH]([NH3+])C(=O)Nc1cccc(N)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](C(=O)Nc1cccc(n1)N)[NH3+] |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C(=O)Nc1cccc(n1)N)[NH3+] |
