2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline
2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | Y502-7068 |
| Compound Name: | 2-[2-(3-nitro-1H-1,2,4-triazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 310.27 |
| Molecular Formula: | C13 H10 N8 O2 |
| Smiles: | C(Cn1cnc(n1)[N+]([O-])=O)c1nc2c3ccccc3ncn2n1 |
| Stereo: | ACHIRAL |
| logP: | 0.9012 |
| logD: | 0.7889 |
| logSw: | -1.6558 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.366 |
| InChI Key: | VKBCXBKITRCZMG-UHFFFAOYSA-N |