(E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 1045724-46-6) is a chemical compound with molecular formula C17H21N7S and molecular weight 355.15793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}-5-(3-methylpyrazol-5-yl)-1,2,4- triazole-3-thiol
Technical Specifications
| Molecular Formula | C17H21N7S |
| Molecular Weight | 355.15793 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.15793 Da |
| Heavy Atoms | 25 |
| Complexity | 523.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=NNC(=C3)C |
| InChIKey | GTDLCSXDBJKOHF-WOJGMQOQSA-N |
Chemical Property Profile of (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.2 indicates that (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 1045724-46-6.
What is the molecular formula of (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is C17H21N7S.
What is the molecular weight of (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 355.15793 g/mol.
Where can I buy (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for (E)-4-((4-(diethylamino)benzylidene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.