3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide
TL;DR: 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide (CAS 1164471-67-3) is a chemical compound with molecular formula C12H12N4O and molecular weight 228.1011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
Also Known As: 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide, (E)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide, (2E)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide, (2E)-3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)prop-2-enamide
Technical Specifications
| Molecular Formula | C12H12N4O |
| Molecular Weight | 228.1011 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.1011 Da |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)NN2C=NN=C2 |
| InChIKey | ZRRRGYNYSHEKKO-VOTSOKGWSA-N |
Chemical Property Profile of 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide
Property Insights of 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide. With a topological polar surface area (TPSA) of 59.8 Ų, 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide has 1 hydrogen bond donor(s) and 3 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-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide?
The CAS number of 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide is 1164471-67-3.
What is the molecular formula of 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide?
The molecular formula of 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide is C12H12N4O.
What is the molecular weight of 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide?
The molecular weight of 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide is 228.1011 g/mol.
Where can I buy 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide?
You can request a quote for 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide?
Yes, CoreyChem provides custom synthesis services for 3-(4-methylphenyl)-N-(4H-1,2,4-triazol-4-yl)acrylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.