TL;DR: 5H,6H-Diimidazo(1,2-a;2',1'-c)pyrazine, 3-nitro- (CAS 57831-66-0) is a chemical compound with molecular formula C8H7N5O2 and molecular weight 205.05997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-nitro-3,6,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
Also Known As: 2',1'-c)PYRAZINE,3-NITRO, 5H,6H-DIIMIDAZO(1,2-a;2',1'-c)PYRAZINE, 3-NITRO-, 3-Nitro-5H,6H-diimidazo(1,2-a;2',1'-c)pyrazine, 3-nitro-5,6-dihydrodiimidazo[1,3-b:1',3'-e]pyrazine, 5,6-Dihydro-3-nitrodiimidazo[1,2-a:2',1'-c]pyrazine
| Molecular Formula | C8H7N5O2 |
| Molecular Weight | 205.05997 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 81.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.05997 Da |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
| SMILES | C1CN2C(=CN=C2C3=NC=CN31)[N+](=O)[O-] |
| InChIKey | IVSXYFTUHZSWIJ-UHFFFAOYSA-N |
The XLogP value of -0.4 indicates that 5H,6H-Diimidazo(1,2-a;2',1'-c)pyrazine, 3-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H,6H-Diimidazo(1,2-a;2',1'-c)pyrazine, 3-nitro-. Following Lipinski's Rule of Five, 5H,6H-Diimidazo(1,2-a;2',1'-c)pyrazine, 3-nitro- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H,6H-Diimidazo(1,2-a;2',1'-c)pyrazine, 3-nitro- is 57831-66-0.
The molecular formula of 5H,6H-Diimidazo(1,2-a;2',1'-c)pyrazine, 3-nitro- is C8H7N5O2.
The molecular weight of 5H,6H-Diimidazo(1,2-a;2',1'-c)pyrazine, 3-nitro- is 205.05997 g/mol.
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