Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate
TL;DR: Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate (CAS 145769-56-8) is a chemical compound with molecular formula C4H4N4O4 and molecular weight 172.02325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-nitro-2H-triazole-4-carboxylate
Also Known As: methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate, methyl 5-nitro-2H-triazole-4-carboxylate, ZERO/001852, methyl5-nitro-2H-1,2,3-triazole-4-carboxylate, Methyl 5-nitro-1H-1,2,3-triazole-4-carboxylate
Technical Specifications
| Molecular Formula | C4H4N4O4 |
| Molecular Weight | 172.02325 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 172.02325 Da |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
| SMILES | COC(=O)C1=NNN=C1[N+](=O)[O-] |
| InChIKey | VZOGVAWHFFOYNM-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate
Property Insights of Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate
The XLogP value of -0.1 indicates that Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate?
The CAS number of Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate is 145769-56-8.
What is the molecular formula of Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate?
The molecular formula of Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate is C4H4N4O4.
What is the molecular weight of Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate?
The molecular weight of Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate is 172.02325 g/mol.
Where can I buy Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate?
You can request a quote for Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-nitro-2H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.