3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine
TL;DR: 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine (CAS 41019-38-9) is a chemical compound with molecular formula C9H10N4O and molecular weight 190.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(phenoxymethyl)-1H-1,2,4-triazol-3-amine
Also Known As: 3-(phenoxymethyl)-1H-1,2,4-triazol-5-amine, 5-(phenoxymethyl)-1H-1,2,4-triazol-3-amine, Methyl 5-(2-chlorophenyl)furan-2-carboxylate, 3-(Phenoxymethyl)-5-amino-1,2,4-triazol, 1H-1,2,4-triazol-5-amine, 3-(phenoxymethyl)-
| Molecular Formula | C9H10N4O |
|---|---|
| Molecular Weight | 190.09 g/mol |
| LogP | 0.9659 |
| Topological Polar Surface Area | 76.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.08546 |
| Heavy Atoms | 14 |
| Complexity | 398.204 |
Chemical Identifiers
| CAS Number | 41019-38-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC2=NC(=NN2)N |
Product Overview
3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine (CAS 41019-38-9), with molecular formula C9H10N4O and molecular weight 190.09 g/mol. IUPAC: 5-(phenoxymethyl)-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine
Property Insights of 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine
The XLogP value of 0.9659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine. The TPSA of 76.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine has 2 hydrogen bond donor(s) and 4 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-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine?
The CAS number of 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine is 41019-38-9.
What is the molecular formula of 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine is C9H10N4O.
What is the molecular weight of 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine is 190.09 g/mol.
Where can I buy 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenoxymethyl)-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.