1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-
TL;DR: 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl- (CAS 83809-88-5) is a chemical compound with molecular formula C5H4N6O3 and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
Also Known As: 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-, 7-methyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one, 7-Methyl-3-nitro[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(6H)-one, RefChem:215273
| Molecular Formula | C5H4N6O3 |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.03448 |
| Heavy Atoms | 14 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 83809-88-5 |
|---|---|
| SMILES | CC1=NC2=NN=C(C(=O)N2N1)[N+](=O)[O-] |
| InChIKey | RLDZJUDZXOKLEH-UHFFFAOYSA-N |
Product Overview
1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl- (CAS 83809-88-5), with molecular formula C5H4N6O3 and molecular weight 196.03 g/mol. IUPAC: 7-methyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one.
Chemical Property Profile of 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-
Property Insights of 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-
The XLogP value of -0.6 indicates that 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-. Following Lipinski's Rule of Five, 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl- 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 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-?
The CAS number of 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl- is 83809-88-5.
What is the molecular formula of 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-?
The molecular formula of 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl- is C5H4N6O3.
What is the molecular weight of 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-?
The molecular weight of 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl- is 196.03 g/mol.
Where can I buy 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-?
You can request a quote for 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(5,1-c)(1,2,4)triazine, 4,7-dihydro-6-nitro-7-oxo-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.