![5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one structure](/static/products/827/827002-38-0.png)
5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
TL;DR: 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 827002-38-0) is a chemical compound with molecular formula C13H12N6O3 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[(3-nitrophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: CBKinase1_009924, CBKinase1_022324, 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, BRD-K93097852-001-01-6, 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7-ol
| Molecular Formula | C13H12N6O3 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 1.24632 |
| Topological Polar Surface Area | 118.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.09708 |
| Heavy Atoms | 22 |
| Complexity | 913.5246 |
Chemical Identifiers
| CAS Number | 827002-38-0 |
|---|---|
| SMILES | CC1=CC(=O)N2C(=N1)N=C(N2)NCC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one (CAS 827002-38-0), with molecular formula C13H12N6O3 and molecular weight 300.10 g/mol. IUPAC: 5-methyl-2-[(3-nitrophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Property Insights of 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
The XLogP value of 1.24632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-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-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one. Following Lipinski's Rule of Five, 5-methyl-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-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The CAS number of 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 827002-38-0.
What is the molecular formula of 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular formula of 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is C13H12N6O3.
What is the molecular weight of 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
The molecular weight of 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one is 300.10 g/mol.
Where can I buy 5-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
You can request a quote for 5-methyl-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-methyl-2-[(3-nitrobenzyl)amino][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-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.