![N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide structure](/static/products/110/110984-76-4.webp)
N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide
TL;DR: N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide (CAS 110984-76-4) is a chemical compound with molecular formula C11H13N5O and molecular weight 231.11201 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(benzylamino)-1H-1,2,4-triazol-5-yl]acetamide
Also Known As: N-[3-(benzylamino)-1H-1,2,4-triazol-5-yl]acetamide, N-(5-(benzylamino)-1H-1,2,4-triazol-3-yl)acetamide, N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide, N-[5-(BENZYLAMINO)-1H-1,2,4-TRIAZOL-3-YL]ACETAMIDE
Technical Specifications
| Molecular Formula | C11H13N5O |
| Molecular Weight | 231.11201 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.11201 Da |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
| SMILES | CC(=O)NC1=NC(=NN1)NCC2=CC=CC=C2 |
| InChIKey | YHEWSWBQMVBRCR-UHFFFAOYSA-N |
Chemical Property Profile of N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide
Property Insights of N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide. Following Lipinski's Rule of Five, N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide?
The CAS number of N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide is 110984-76-4.
What is the molecular formula of N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide?
The molecular formula of N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide is C11H13N5O.
What is the molecular weight of N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide?
The molecular weight of N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide is 231.11201 g/mol.
Where can I buy N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide?
You can request a quote for N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide?
Yes, CoreyChem provides custom synthesis services for N-[5-(benzylamino)-4H-1,2,4-triazol-3-yl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.