3C3
Summary
| Name: | 4,4'-(1-PROPYL-1H-1,2,4-TRIAZOLE-3,5-DIYL)BIS(2,5-DIHYDRO-1,2,5-OXADIAZOL-3-AMINE) |
| Formula: | C9 H15 N9 O2 |
| Formal charge: | 0 |
| Formula weight: | 281.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4,4'-(1-propyl-1H-1,2,4-triazole-3,5-diyl)bis(2,5-dihydro-1,2,5-oxadiazol-3-amine) |
| OpenEye OEToolkits | 1.5.0 | 4-[5-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-2-propyl-1,2,4-triazol-3-yl]-2,5-dihydro-1,2,5-oxadiazol-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | n1n(c(nc1C=2NONC=2N)C3=C(N)NON3)CCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCn1nc(nc1C2=C(N)NON2)C3=C(N)NON3 |
| SMILES | CACTVS | 3.341 | CCCn1nc(nc1C2=C(N)NON2)C3=C(N)NON3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCn1c(nc(n1)C2=C(NON2)N)C3=C(NON3)N |
| InChI | InChI | 1.03 | InChI=1S/C9H15N9O2/c1-2-3-18-9(5-7(11)17-20-15-5)12-8(13-18)4-6(10)16-19-14-4/h14-17H,2-3,10-11H2,1H3 |
| InChIKey | InChI | 1.03 | AZHWQKVREXJRBF-UHFFFAOYSA-N |
