![5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/879/879034-64-7.png)
5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 879034-64-7) is a chemical compound with molecular formula C14H14N6O3 and molecular weight 314.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-2-[(3-nitrophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5,6-dimethyl-2-((3-nitrobenzyl)amino)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 5,6-dimethyl-2-[(3-nitrophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C14H14N6O3 |
|---|---|
| Molecular Weight | 314.11 g/mol |
| LogP | 1.55474 |
| Topological Polar Surface Area | 118.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.11273 |
| Heavy Atoms | 23 |
| Complexity | 958.79126 |
Chemical Identifiers
| CAS Number | 879034-64-7 |
|---|---|
| SMILES | CC1=C(N=C2N=C(NN2C1=O)NCC3=CC(=CC=C3)[N+](=O)[O-])C |
Product Overview
5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 879034-64-7), with molecular formula C14H14N6O3 and molecular weight 314.11 g/mol. IUPAC: 5,6-dimethyl-2-[(3-nitrophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 1.55474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. The TPSA of 118.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. Following Lipinski's Rule of Five, 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one has 2 hydrogen bond donor(s) and 6 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 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 879034-64-7.
What is the molecular formula of 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is C14H14N6O3.
What is the molecular weight of 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 314.11 g/mol.
Where can I buy 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5,6-dimethyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.