5-Methyl-1,3,5-triazinan-2-one
TL;DR: 5-Methyl-1,3,5-triazinan-2-one (CAS 1910-89-0) is a chemical compound with molecular formula C4H9N3O and molecular weight 115.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,3,5-triazinan-2-one
Also Known As: 5-methyl-1,3,5-triazinan-2-one, Tetrahydro-5-methyl-s-triaz-2(1H)-one, 5-Methylhexahydro-1,3,5-triazin-2-one, 1-Methyl-4-oxohexahydro-1,3,5-triazine, 3,4,5,6-Tetrahydro-5-methyl-1,3,5-triazine-2(1H)-one
| Molecular Formula | C4H9N3O |
|---|---|
| Molecular Weight | 115.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 115.07456 |
| Heavy Atoms | 8 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 1910-89-0 |
|---|---|
| SMILES | CN1CNC(=O)NC1 |
| InChIKey | HXUIEVOKAVDUIJ-UHFFFAOYSA-N |
Product Overview
5-Methyl-1,3,5-triazinan-2-one (CAS 1910-89-0), with molecular formula C4H9N3O and molecular weight 115.07 g/mol. IUPAC: 5-methyl-1,3,5-triazinan-2-one.
Chemical Property Profile of 5-Methyl-1,3,5-triazinan-2-one
Property Insights of 5-Methyl-1,3,5-triazinan-2-one
The XLogP value of -0.6 indicates that 5-Methyl-1,3,5-triazinan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.4 Ų, 5-Methyl-1,3,5-triazinan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,3,5-triazinan-2-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 5-Methyl-1,3,5-triazinan-2-one?
The CAS number of 5-Methyl-1,3,5-triazinan-2-one is 1910-89-0.
What is the molecular formula of 5-Methyl-1,3,5-triazinan-2-one?
The molecular formula of 5-Methyl-1,3,5-triazinan-2-one is C4H9N3O.
What is the molecular weight of 5-Methyl-1,3,5-triazinan-2-one?
The molecular weight of 5-Methyl-1,3,5-triazinan-2-one is 115.07 g/mol.
Where can I buy 5-Methyl-1,3,5-triazinan-2-one?
You can request a quote for 5-Methyl-1,3,5-triazinan-2-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-1,3,5-triazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,3,5-triazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.