1,3,5-Triazine-2,4(1H,3H)-dione
TL;DR: 1,3,5-Triazine-2,4(1H,3H)-dione (CAS 71-33-0) is a chemical compound with molecular formula C3H3N3O2 and molecular weight 113.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-1,3,5-triazine-2,4-dione
Also Known As: 5-AZAURACIL, 1,3,5-Triazine-2,4(1H,3H)-dione, Allantoxaidin, Allantoxaidine, Oxaidin
| Molecular Formula | C3H3N3O2 |
|---|---|
| Molecular Weight | 113.02 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.02253 |
| Heavy Atoms | 8 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 71-33-0 |
|---|---|
| SMILES | C1=NC(=O)NC(=O)N1 |
| InChIKey | GEWRKGDRYZIFNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Triazine-2,4(1H,3H)-dione (CAS 71-33-0), with molecular formula C3H3N3O2 and molecular weight 113.02 g/mol. IUPAC: 1H-1,3,5-triazine-2,4-dione.
Chemical Property Profile of 1,3,5-Triazine-2,4(1H,3H)-dione
Property Insights of 1,3,5-Triazine-2,4(1H,3H)-dione
The XLogP value of -1.9 indicates that 1,3,5-Triazine-2,4(1H,3H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine-2,4(1H,3H)-dione. Following Lipinski's Rule of Five, 1,3,5-Triazine-2,4(1H,3H)-dione 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 1,3,5-Triazine-2,4(1H,3H)-dione?
The CAS number of 1,3,5-Triazine-2,4(1H,3H)-dione is 71-33-0.
What is the molecular formula of 1,3,5-Triazine-2,4(1H,3H)-dione?
The molecular formula of 1,3,5-Triazine-2,4(1H,3H)-dione is C3H3N3O2.
What is the molecular weight of 1,3,5-Triazine-2,4(1H,3H)-dione?
The molecular weight of 1,3,5-Triazine-2,4(1H,3H)-dione is 113.02 g/mol.
Where can I buy 1,3,5-Triazine-2,4(1H,3H)-dione?
You can request a quote for 1,3,5-Triazine-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Triazine-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triazine-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.