3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine
TL;DR: 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine (CAS 16691-50-2) is a chemical compound with molecular formula C9H11N5O and molecular weight 205.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine
Also Known As: Maybridge3_007605, 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine, IDI1_018992, N~3~-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine, N3-(4-METHOXYPHENYL)-1H-1,2,4-TRIAZOLE-3,5-DIAMINE
| Molecular Formula | C9H11N5O |
|---|---|
| Molecular Weight | 205.10 g/mol |
| LogP | 1.1391 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.09636 |
| Heavy Atoms | 15 |
| Complexity | 436.01828 |
Chemical Identifiers
| CAS Number | 16691-50-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=NNC(=N2)N |
Product Overview
3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine (CAS 16691-50-2), with molecular formula C9H11N5O and molecular weight 205.10 g/mol. IUPAC: 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine.
Chemical Property Profile of 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine
Property Insights of 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine
The XLogP value of 1.1391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine. The TPSA of 88.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine. Following Lipinski's Rule of Five, 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine has 3 hydrogen bond donor(s) and 5 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 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine?
The CAS number of 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine is 16691-50-2.
What is the molecular formula of 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine?
The molecular formula of 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine is C9H11N5O.
What is the molecular weight of 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine?
The molecular weight of 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine is 205.10 g/mol.
Where can I buy 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine?
You can request a quote for 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for 3-N-(4-methoxyphenyl)-1H-1,2,4-triazole-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.