TL;DR: 5,6,7,8-Tetrahydrotetrazolo[1,5-b][1,2,4]triazine (CAS 117039-70-0) is a chemical compound with molecular formula C3H6N6 and molecular weight 126.06539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6,7,8-tetrahydrotetrazolo[1,5-b][1,2,4]triazine
Also Known As: 5,6,7,8-tetrahydrotetrazolo[1,5-b][1,2,4]triazine, J3.565.693F, Tetrazolo[1,5-b][1,2,4]triazine, 1,5,6,7-tetrahydro-, 5H,6H,7H,8H-[1,2,3,4]TETRAZOLO[1,5-B][1,2,4]TRIAZINE, 3,5,6,7-tetrahydrotetrazolo[1,5-b][1,2,4]triazine
| Molecular Formula | C3H6N6 |
| Molecular Weight | 126.06539 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.06539 Da |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
| SMILES | C1CNN2C(=NN=N2)N1 |
| InChIKey | RNMCQEMQGJHTQF-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7,8-Tetrahydrotetrazolo[1,5-b][1,2,4]triazine. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6,7,8-Tetrahydrotetrazolo[1,5-b][1,2,4]triazine. Following Lipinski's Rule of Five, 5,6,7,8-Tetrahydrotetrazolo[1,5-b][1,2,4]triazine 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 5,6,7,8-Tetrahydrotetrazolo[1,5-b][1,2,4]triazine is 117039-70-0.
The molecular formula of 5,6,7,8-Tetrahydrotetrazolo[1,5-b][1,2,4]triazine is C3H6N6.
The molecular weight of 5,6,7,8-Tetrahydrotetrazolo[1,5-b][1,2,4]triazine is 126.06539 g/mol.
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