5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one
TL;DR: 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one (CAS 89311-26-2) 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.
5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one
Also Known As: 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one, 1,2,4-Triazin-6(1H)-one,2,5-dihydro-5-methyl, 1,2,4-Triazin-6(1H)-one, 2,5-dihydro-5-methyl-, 1,2,4-Triazin-6(1H)-one, 2,5-dihydro-5-methyl-, (S)-
| Molecular Formula | C4H7N3O |
|---|---|
| Molecular Weight | 113.06 g/mol |
| LogP | -0.9624 |
| Topological Polar Surface Area | 53.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.058914 |
| Heavy Atoms | 8 |
| Complexity | 131.24512 |
Chemical Identifiers
| CAS Number | 89311-26-2 |
|---|---|
| SMILES | CC1C(=O)NNC=N1 |
Product Overview
5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one (CAS 89311-26-2), with molecular formula C4H7N3O and molecular weight 113.06 g/mol. IUPAC: 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one.
Chemical Property Profile of 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one
Property Insights of 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one
The XLogP value of -0.9624 indicates that 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.49 Ų, 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one has 2 hydrogen bond donor(s) and 3 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-2,5-dihydro-1H-1,2,4-triazin-6-one?
The CAS number of 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one is 89311-26-2.
What is the molecular formula of 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
The molecular formula of 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one is C4H7N3O.
What is the molecular weight of 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
The molecular weight of 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one is 113.06 g/mol.
Where can I buy 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one?
You can request a quote for 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-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-2,5-dihydro-1H-1,2,4-triazin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2,5-dihydro-1H-1,2,4-triazin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.