5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 79369-38-3) is a chemical compound with molecular formula C10H11N3O and molecular weight 189.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one
Also Known As: 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, NCI60_031411, 3-methyl-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one, 3-methyl-4-(p-tolyl)-1H-1,2,4-triazol-5-one, 3-methyl-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C10H11N3O |
|---|---|
| Molecular Weight | 189.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.09021 |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 79369-38-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NNC2=O)C |
| InChIKey | SLSVSWZAJBJHTQ-UHFFFAOYSA-N |
Product Overview
5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 79369-38-3), with molecular formula C10H11N3O and molecular weight 189.09 g/mol. IUPAC: 3-methyl-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 44.7 Ų, 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one has 1 hydrogen bond donor(s) and 2 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-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 79369-38-3.
What is the molecular formula of 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is C10H11N3O.
What is the molecular weight of 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is 189.09 g/mol.
Where can I buy 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 5-methyl-4-(4-methylphenyl)-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 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.