![1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone structure](/static/products/876/876714-23-7.png)
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
TL;DR: 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone (CAS 876714-23-7) is a chemical compound with molecular formula C17H17N5O2 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
Also Known As: BAS 10422773, 1-(5-((4-methoxybenzyl)amino)-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)ethanone, 1-[5-(p-anisylamino)-3-(3-pyridyl)-1,2,4-triazol-1-yl]ethanone, 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone, 1-{5-[(4-methoxybenzyl)amino]-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl}ethanone
| Molecular Formula | C17H17N5O2 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 2.6209 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.1382 |
| Heavy Atoms | 24 |
| Complexity | 827.9471 |
Chemical Identifiers
| CAS Number | 876714-23-7 |
|---|---|
| SMILES | CC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)OC |
Product Overview
1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone (CAS 876714-23-7), with molecular formula C17H17N5O2 and molecular weight 323.14 g/mol. IUPAC: 1-[5-[(4-methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone.
Chemical Property Profile of 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
Property Insights of 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone
The XLogP value of 2.6209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone. Following Lipinski's Rule of Five, 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone has 1 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 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone?
The CAS number of 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone is 876714-23-7.
What is the molecular formula of 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone?
The molecular formula of 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone is C17H17N5O2.
What is the molecular weight of 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone?
The molecular weight of 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone is 323.14 g/mol.
Where can I buy 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone?
You can request a quote for 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-[(4-Methoxyphenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.