1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole
TL;DR: 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole (CAS 304688-46-8) is a chemical compound with molecular formula C6H6N6O2 and molecular weight 194.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyl-4-nitro-1H-pyrazol-3-yl)-1,2,4-triazole
Also Known As: BAS 00191486, 5-methyl-4-nitro-3-(1,2,4-triazol-1-yl)pyrazole, 1-(3-METHYL-4-NITRO-1H-PYRAZOL-5-YL)-1H-1,2,4-TRIAZOLE, 1-(5-methyl-4-nitro-1H-pyrazol-3-yl)-1,2,4-triazole, 1-(5-methyl-4-nitro-1H-pyrazol-3-yl)-1H-1,2,4-triazole
| Molecular Formula | C6H6N6O2 |
|---|---|
| Molecular Weight | 194.06 g/mol |
| LogP | 0.20702 |
| Topological Polar Surface Area | 102.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.05522 |
| Heavy Atoms | 14 |
| Complexity | 458.63004 |
Chemical Identifiers
| CAS Number | 304688-46-8 |
|---|---|
| SMILES | CC1=C(C(=NN1)N2C=NC=N2)[N+](=O)[O-] |
Product Overview
1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole (CAS 304688-46-8), with molecular formula C6H6N6O2 and molecular weight 194.06 g/mol. IUPAC: 1-(5-methyl-4-nitro-1H-pyrazol-3-yl)-1,2,4-triazole.
Chemical Property Profile of 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole
Property Insights of 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole
The XLogP value of 0.20702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole. The TPSA of 102.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole 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
Frequently Asked Questions
What is the CAS number of 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole?
The CAS number of 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole is 304688-46-8.
What is the molecular formula of 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole?
The molecular formula of 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole is C6H6N6O2.
What is the molecular weight of 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole?
The molecular weight of 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole is 194.06 g/mol.
Where can I buy 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole?
You can request a quote for 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methyl-4-nitro-1H-pyrazol-5-YL)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.