![2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one structure](/static/products/4114/4114-36-7.webp)
2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one
TL;DR: 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one (CAS 4114-36-7) is a chemical compound with molecular formula C4H7N3O and molecular weight 113.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-1,2,4-triazol-3-one
Also Known As: 2,4-dimethyl-1,2,4-triazol-3-one, 1,4-dimethyl-1,2,4-triazol-5-one, 2,4-dimethyl-2,4-dihydro-[1,2,4]triazol-3-one, J1.687.397G, 1,4-Dimethyl-1H-1,2,4-triazol-5(4H)-one
| Molecular Formula | C4H7N3O |
|---|---|
| Molecular Weight | 113.06 g/mol |
| LogP | -0.8812 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.058914 |
| Heavy Atoms | 8 |
| Complexity | 211.17662 |
Chemical Identifiers
| CAS Number | 4114-36-7 |
|---|---|
| SMILES | CN1C=NN(C1=O)C |
Product Overview
2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one (CAS 4114-36-7), with molecular formula C4H7N3O and molecular weight 113.06 g/mol. IUPAC: 2,4-dimethyl-1,2,4-triazol-3-one.
Chemical Property Profile of 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one
Property Insights of 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one
The XLogP value of -0.8812 indicates that 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.82 Ų, 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one has 0 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 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one?
The CAS number of 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one is 4114-36-7.
What is the molecular formula of 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one?
The molecular formula of 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one is C4H7N3O.
What is the molecular weight of 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one?
The molecular weight of 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one is 113.06 g/mol.
Where can I buy 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one?
You can request a quote for 2,4-Dimethyl-2,4-dihydro-[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 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-2,4-dihydro-[1,2,4]triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.