Hexahydro-1,3,5-trinitroso-1,3,5-triazine
TL;DR: Hexahydro-1,3,5-trinitroso-1,3,5-triazine (CAS 13980-04-6) is a chemical compound with molecular formula C3H6N6O3 and molecular weight 174.05014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,5-trinitroso-1,3,5-triazinane
Also Known As: Trinitrosotrimethylenetriamine, hexahydrotriazine, 1,3,5-Trinitroso-1,3,5-triazinane, Hexahydro-1,3,5-trinitroso-1,3,5-triazine, TNX cpd
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C3H6N6O3 |
| Molecular Weight | 174.05014 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.05014 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | C1N(CN(CN1N=O)N=O)N=O |
| InChIKey | HFWOSHMLDRSIDN-UHFFFAOYSA-N |
Chemical Property Profile of Hexahydro-1,3,5-trinitroso-1,3,5-triazine
Property Insights of Hexahydro-1,3,5-trinitroso-1,3,5-triazine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1,3,5-trinitroso-1,3,5-triazine. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydro-1,3,5-trinitroso-1,3,5-triazine. Following Lipinski's Rule of Five, Hexahydro-1,3,5-trinitroso-1,3,5-triazine has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hexahydro-1,3,5-trinitroso-1,3,5-triazine?
The CAS number of Hexahydro-1,3,5-trinitroso-1,3,5-triazine is 13980-04-6.
What is the molecular formula of Hexahydro-1,3,5-trinitroso-1,3,5-triazine?
The molecular formula of Hexahydro-1,3,5-trinitroso-1,3,5-triazine is C3H6N6O3.
What is the molecular weight of Hexahydro-1,3,5-trinitroso-1,3,5-triazine?
The molecular weight of Hexahydro-1,3,5-trinitroso-1,3,5-triazine is 174.05014 g/mol.
Where can I buy Hexahydro-1,3,5-trinitroso-1,3,5-triazine?
You can request a quote for Hexahydro-1,3,5-trinitroso-1,3,5-triazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexahydro-1,3,5-trinitroso-1,3,5-triazine?
Yes, CoreyChem provides custom synthesis services for Hexahydro-1,3,5-trinitroso-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.