![3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline structure](/static/products/1635/163557-56-0.webp)
3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline
TL;DR: 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline (CAS 163557-56-0) is a chemical compound with molecular formula C13H15N3 and molecular weight 213.1266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5,5-trimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Also Known As: 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline, 3,5,5-trimethyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline, 6,6,8-trimethyl-5,6,7-trihydro-1,2,4-triazolo[3,4-a]isoquinoline
Technical Specifications
| Molecular Formula | C13H15N3 |
| Molecular Weight | 213.1266 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.1266 Da |
| Heavy Atoms | 16 |
| Complexity | 276.0 |
| SMILES | CC1=NN=C2N1C(CC3=CC=CC=C32)(C)C |
| InChIKey | IASYRMWDVBBQJG-UHFFFAOYSA-N |
Chemical Property Profile of 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline
Property Insights of 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline. With a topological polar surface area (TPSA) of 30.7 Ų, 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline?
The CAS number of 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline is 163557-56-0.
What is the molecular formula of 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular formula of 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline is C13H15N3.
What is the molecular weight of 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline?
The molecular weight of 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline is 213.1266 g/mol.
Where can I buy 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline?
You can request a quote for 3,5,5-Trimethyl-5,6-dihydro-[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 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline?
Yes, CoreyChem provides custom synthesis services for 3,5,5-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.