![3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine structure](/static/products/1037/1037567-50-2.webp)
3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
TL;DR: 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 1037567-50-2) is a chemical compound with molecular formula C14H11N7O2S and molecular weight 341.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 3-(3-methyl-1H-pyrazol-5-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C14H11N7O2S |
|---|---|
| Molecular Weight | 341.07 g/mol |
| LogP | 2.24292 |
| Topological Polar Surface Area | 114.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.0695 |
| Heavy Atoms | 24 |
| Complexity | 957.9207 |
Chemical Identifiers
| CAS Number | 1037567-50-2 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 1037567-50-2), with molecular formula C14H11N7O2S and molecular weight 341.07 g/mol. IUPAC: 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine.
Chemical Property Profile of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Property Insights of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
The XLogP value of 2.24292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. The TPSA of 114.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The CAS number of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 1037567-50-2.
What is the molecular formula of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular formula of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C14H11N7O2S.
What is the molecular weight of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
The molecular weight of 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 341.07 g/mol.
Where can I buy 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
You can request a quote for 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-methyl-1H-pyrazol-3-yl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.