![5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline structure](/static/products/1475/147567-58-6.webp)
5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline
TL;DR: 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline (CAS 147567-58-6) is a chemical compound with molecular formula C18H16N4O2 and molecular weight 320.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline, 5,5-dimethyl-3-(2-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline, 5,5-dimethyl-3-(2-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline, 5,5-DIMETHYL-3-(2-NITROPHENYL)-5H,6H-[1,2,4]TRIAZOLO[3,4-A]ISOQUINOLINE, 6,6-dimethyl-8-(2-nitrophenyl)-5,6,7-trihydro-1,2,4-triazolo[3,4-a]isoquinolin e
Technical Specifications
| Molecular Formula | C18H16N4O2 |
| Molecular Weight | 320.12732 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.12732 Da |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
| SMILES | CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CC=CC=C4[N+](=O)[O-])C |
| InChIKey | UFRKHATYXVKTCI-UHFFFAOYSA-N |
Chemical Property Profile of 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Property Insights of 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline
The XLogP value of 3.1 indicates that 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline. Following Lipinski's Rule of Five, 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline 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 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The CAS number of 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline is 147567-58-6.
What is the molecular formula of 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular formula of 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline is C18H16N4O2.
What is the molecular weight of 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular weight of 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline is 320.12732 g/mol.
Where can I buy 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
You can request a quote for 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline?
Yes, CoreyChem provides custom synthesis services for 5,5-dimethyl-3-(2-nitrophenyl)-6H-[1,2,4]triazolo[3,4-a]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.