1-(1-Adamantyl)-3-nitro-1,2,4-triazole
TL;DR: 1-(1-Adamantyl)-3-nitro-1,2,4-triazole (CAS 147917-48-4) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-adamantyl)-3-nitro-1,2,4-triazole
Also Known As: 1-(1-adamantyl)-3-nitro-1,2,4-triazole, 1-(1-adamantyl)-3-nitro-1H-1,2,4-triazole, 1-adamantanyl-3-nitro-1,2,4-triazole, AB00080733-01, 1-(Adamantan-1-yl)-3-nitro-1H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C12H16N4O2 |
| Molecular Weight | 248.12732 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.12732 Da |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C=NC(=N4)[N+](=O)[O-] |
| InChIKey | YDPOBHWXRSITLP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Adamantyl)-3-nitro-1,2,4-triazole
Property Insights of 1-(1-Adamantyl)-3-nitro-1,2,4-triazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Adamantyl)-3-nitro-1,2,4-triazole. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-Adamantyl)-3-nitro-1,2,4-triazole. Following Lipinski's Rule of Five, 1-(1-Adamantyl)-3-nitro-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(1-Adamantyl)-3-nitro-1,2,4-triazole?
The CAS number of 1-(1-Adamantyl)-3-nitro-1,2,4-triazole is 147917-48-4.
What is the molecular formula of 1-(1-Adamantyl)-3-nitro-1,2,4-triazole?
The molecular formula of 1-(1-Adamantyl)-3-nitro-1,2,4-triazole is C12H16N4O2.
What is the molecular weight of 1-(1-Adamantyl)-3-nitro-1,2,4-triazole?
The molecular weight of 1-(1-Adamantyl)-3-nitro-1,2,4-triazole is 248.12732 g/mol.
Where can I buy 1-(1-Adamantyl)-3-nitro-1,2,4-triazole?
You can request a quote for 1-(1-Adamantyl)-3-nitro-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Adamantyl)-3-nitro-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 1-(1-Adamantyl)-3-nitro-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.