![2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione structure](/static/products/6523/65236-49-9.webp)
2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione
TL;DR: 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione (CAS 65236-49-9) is a chemical compound with molecular formula C13H12F3N3O2 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
Also Known As: 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione, 1H-(1,2,4)Triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-2-(4-(alpha,alpha,alpha-trifluoro-p-tolyl))-, 2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione, 8-[3-(trifluoromethyl)phenyl]-1,6,8-triazabicyclo[4.3.0]nonane-7,9-dione, 2-(3-trifluoromethyl-phenyl)-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione
| Molecular Formula | C13H12F3N3O2 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.08817 |
| Heavy Atoms | 21 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 65236-49-9 |
|---|---|
| SMILES | C1CCN2C(=O)N(C(=O)N2C1)C3=CC=CC(=C3)C(F)(F)F |
| InChIKey | AUPITFUPAUXUOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione (CAS 65236-49-9), with molecular formula C13H12F3N3O2 and molecular weight 299.09 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione.
Chemical Property Profile of 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione
Property Insights of 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione. With a topological polar surface area (TPSA) of 43.9 Ų, 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione?
The CAS number of 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione is 65236-49-9.
What is the molecular formula of 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione?
The molecular formula of 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione is C13H12F3N3O2.
What is the molecular weight of 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione?
The molecular weight of 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione is 299.09 g/mol.
Where can I buy 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione?
You can request a quote for 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(trifluoromethyl)phenyl]tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.