5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide
TL;DR: 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide (CAS 126537-91-5) is a chemical compound with molecular formula C16H15N5O and molecular weight 293.12766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-benzyl-N-phenyltriazole-4-carboxamide
Also Known As: MixCom6_002598, 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide, ZERO/001680, 5-amino-1-benzyl-N-phenyltriazole-4-carboxamide, BIM-0047500.P001
Technical Specifications
| Molecular Formula | C16H15N5O |
| Molecular Weight | 293.12766 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 85.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.12766 Da |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=C(N=N2)C(=O)NC3=CC=CC=C3)N |
| InChIKey | VRPNKRZXCVMIIG-UHFFFAOYSA-N |
Chemical Property Profile of 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide
Property Insights of 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide. Following Lipinski's Rule of Five, 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide has 2 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 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide is 126537-91-5.
What is the molecular formula of 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide is C16H15N5O.
What is the molecular weight of 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide is 293.12766 g/mol.
Where can I buy 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide?
Yes, CoreyChem provides custom synthesis services for 5-Amino-1-benzyl-N-phenyl-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.