amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one structure](/static/products/860/860786-15-8.png)
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-15-8) is a chemical compound with molecular formula C17H14ClF3N6O3 and molecular weight 442.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one
Also Known As: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-1-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C17H14ClF3N6O3 |
|---|---|
| Molecular Weight | 442.08 g/mol |
| LogP | 3.27642 |
| Topological Polar Surface Area | 99.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.0768 |
| Heavy Atoms | 30 |
| Complexity | 1157.0258 |
Chemical Identifiers
| CAS Number | 860786-15-8 |
|---|---|
| SMILES | CC1=NN(C(=O)N1N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-15-8), with molecular formula C17H14ClF3N6O3 and molecular weight 442.08 g/mol. IUPAC: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-5-methyl-2-[(4-nitrophenyl)methyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 3.27642 indicates that 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one has 0 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 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 860786-15-8.
What is the molecular formula of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is C17H14ClF3N6O3.
What is the molecular weight of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 442.08 g/mol.
Where can I buy 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-methyl-2-(4-nitrobenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.