1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine
TL;DR: 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine (CAS 802588-24-5) is a chemical compound with molecular formula C12H17N3 and molecular weight 203.14224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine
Also Known As: 1-methyl-3-phenethyl-5,6-dihydro-2H-1,2,4-triazine, as-Triazine, 1,4,5,6-tetrahydro-1-methyl-3-phenethyl- (8CI)
Technical Specifications
| Molecular Formula | C12H17N3 |
| Molecular Weight | 203.14224 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 27.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.14224 Da |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
| SMILES | CN1CCN=C(N1)CCC2=CC=CC=C2 |
| InChIKey | UFRGONAOWLVVHL-UHFFFAOYSA-N |
Chemical Property Profile of 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine
Property Insights of 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine. With a topological polar surface area (TPSA) of 27.6 Ų, 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine has 1 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 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine?
The CAS number of 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine is 802588-24-5.
What is the molecular formula of 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine?
The molecular formula of 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine is C12H17N3.
What is the molecular weight of 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine?
The molecular weight of 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine is 203.14224 g/mol.
Where can I buy 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine?
You can request a quote for 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine?
Yes, CoreyChem provides custom synthesis services for 1-methyl-3-(2-phenylethyl)-5,6-dihydro-2H-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.