3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one
TL;DR: 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one (CAS 14290-34-7) is a chemical compound with molecular formula C16H16N4O and molecular weight 280.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one
Also Known As: 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one, 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-on, 5-(2-Methylanilino)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 3H-1,2,4-TRIAZOL-3-ONE,2,4-DIHYDRO-4-(2-METHYLPHENYL)-5-[(2-METHYLPHENYL)AMINO]-
| Molecular Formula | C16H16N4O |
|---|---|
| Molecular Weight | 280.13 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 56.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.13242 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 14290-34-7 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=NNC(=O)N2C3=CC=CC=C3C |
| InChIKey | AETRDVKOCZKLAR-UHFFFAOYSA-N |
Product Overview
3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one (CAS 14290-34-7), with molecular formula C16H16N4O and molecular weight 280.13 g/mol. IUPAC: 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one
Property Insights of 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one
The XLogP value of 3.1 indicates that 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.7 Ų, 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one has 2 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 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one?
The CAS number of 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one is 14290-34-7.
What is the molecular formula of 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one?
The molecular formula of 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one is C16H16N4O.
What is the molecular weight of 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one?
The molecular weight of 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one is 280.13 g/mol.
Where can I buy 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one?
You can request a quote for 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylanilino)-4-(2-methylphenyl)-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.