![[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro- structure](/static/products/1160/116061-62-2.webp)
[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-
TL;DR: [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro- (CAS 116061-62-2) 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.
1-methyl-3-nitro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
Also Known As: ZERO/003101, 3-p-Toluoyl-pyridin-2-carbonsaeure, [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-, 1-methyl-3-nitro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one, 1-Methyl-3-nitro[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one
| Molecular Formula | C5H4N6O3 |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.03448 |
| Heavy Atoms | 14 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 116061-62-2 |
|---|---|
| SMILES | CN1C2=NC=NN2C(=O)C(=N1)[N+](=O)[O-] |
| InChIKey | BCKMMROKSGOWJG-UHFFFAOYSA-N |
Product Overview
[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro- (CAS 116061-62-2), with molecular formula C5H4N6O3 and molecular weight 196.03 g/mol. IUPAC: 1-methyl-3-nitro-[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]triazin-4(1H)-one, 1-methyl-3-nitro-
Property Insights of [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-. Following Lipinski's Rule of Five, [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro- has 0 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 [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-?
The CAS number of [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro- is 116061-62-2.
What is the molecular formula of [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-?
The molecular formula of [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro- is C5H4N6O3.
What is the molecular weight of [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-?
The molecular weight of [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro- is 196.03 g/mol.
Where can I buy [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro-?
You can request a quote for [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro- 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]triazin-4(1H)-one, 1-methyl-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.