5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 1010-54-4) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-phenyl-1H-1,2,4-triazol-5-one
Also Known As: 3-Methyl-4-phenyl-1H-1,2,4-triazol-5(4H)-one, 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one, methylphenyldihydrotriazolone, 3-methyl-4-phenyl-1H-1,2,4-triazol-5-one, 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methyl-4-phenyl-
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 0.86902 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 455.2121 |
Chemical Identifiers
| CAS Number | 1010-54-4 |
|---|---|
| SMILES | CC1=NNC(=O)N1C2=CC=CC=C2 |
Product Overview
5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 1010-54-4), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: 3-methyl-4-phenyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 0.86902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 50.68 Ų, 5-Methyl-4-phenyl-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-phenyl-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-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 1010-54-4.
What is the molecular formula of 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one is C9H9N3O.
What is the molecular weight of 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one is 175.07 g/mol.
Where can I buy 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 5-Methyl-4-phenyl-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-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.