TL;DR: acetone 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone (CAS 116505-47-6) is a chemical compound with molecular formula C12H12N6 and molecular weight 240.11235 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(propan-2-ylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine
Also Known As: acetone 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone, BAS 00365663, BIM-0022454.P001, N-(propan-2-ylideneamino)-5H-[1,2,4]triazino[5,6-b]indol-3-amine, 1-(5H-1,2,4-Triazino[5,6-b]indol-3-yl)-2-isopropylidenehydrazine
| Molecular Formula | C12H12N6 |
| Molecular Weight | 240.11235 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.11235 Da |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
| SMILES | CC(=NNC1=NC2=C(C3=CC=CC=C3N2)N=N1)C |
| InChIKey | JVZQOCMZZWPGQC-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for acetone 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for acetone 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone. Following Lipinski's Rule of Five, acetone 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of acetone 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone is 116505-47-6.
The molecular formula of acetone 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone is C12H12N6.
The molecular weight of acetone 5H-[1,2,4]triazino[5,6-b]indol-3-ylhydrazone is 240.11235 g/mol.
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