N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
TL;DR: N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (CAS 104958-89-6) is a chemical compound with molecular formula C8H13N5O3 and molecular weight 227.10184 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Also Known As: BAS 00398102, N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide, J1.552.367K, N-butyl-2-(3-nitro(1,2,4-triazolyl))acetamide, N-Butyl-3-nitro-1H-1,2,4-triazole-1-acetamide
Technical Specifications
| Molecular Formula | C8H13N5O3 |
| Molecular Weight | 227.10184 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.10184 Da |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
| SMILES | CCCCNC(=O)CN1C=NC(=N1)[N+](=O)[O-] |
| InChIKey | WUBNTGPRUNECAV-UHFFFAOYSA-N |
Chemical Property Profile of N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Property Insights of N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide has 1 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 N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The CAS number of N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is 104958-89-6.
What is the molecular formula of N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular formula of N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is C8H13N5O3.
What is the molecular weight of N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular weight of N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is 227.10184 g/mol.
Where can I buy N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
You can request a quote for N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for N-butyl-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.