4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole
TL;DR: 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole (CAS 131394-16-6) is a chemical compound with molecular formula C5H6N4O3 and molecular weight 170.04399 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-nitrotriazol-1-yl)propan-2-one
Also Known As: 1-(4-nitrotriazol-1-yl)propan-2-one, 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole, ZERO/008101, 1-(4-nitro-1,2,3-triazolyl)acetone, 1-(4-Nitro-1H-1,2,3-triazol-1-yl)acetone
Technical Specifications
| Molecular Formula | C5H6N4O3 |
| Molecular Weight | 170.04399 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 93.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.04399 Da |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
| SMILES | CC(=O)CN1C=C(N=N1)[N+](=O)[O-] |
| InChIKey | ALOPAILOUCVCQT-UHFFFAOYSA-N |
Chemical Property Profile of 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole
Property Insights of 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole. The TPSA of 93.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole. Following Lipinski's Rule of Five, 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole has 0 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 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole?
The CAS number of 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole is 131394-16-6.
What is the molecular formula of 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole?
The molecular formula of 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole is C5H6N4O3.
What is the molecular weight of 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole?
The molecular weight of 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole is 170.04399 g/mol.
Where can I buy 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole?
You can request a quote for 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole?
Yes, CoreyChem provides custom synthesis services for 4-Nitro-1-(2-oxopropyl)-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.