2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
TL;DR: 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile (CAS 89282-23-5) is a chemical compound with molecular formula C5H4N4O2 and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile
Also Known As: 2-methyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile, 2-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile, 6-Cyano-3,5-dioxo-2-methyl-2,3,4,5-tetrahydro-as-triazin
| Molecular Formula | C5H4N4O2 |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.03343 |
| Heavy Atoms | 11 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 89282-23-5 |
|---|---|
| SMILES | CN1C(=O)NC(=O)C(=N1)C#N |
| InChIKey | PKJZNQYXTPSJAS-UHFFFAOYSA-N |
Product Overview
2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile (CAS 89282-23-5), with molecular formula C5H4N4O2 and molecular weight 152.03 g/mol. IUPAC: 2-methyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile.
Chemical Property Profile of 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
Property Insights of 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
The XLogP value of -0.6 indicates that 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile. Following Lipinski's Rule of Five, 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile has 1 hydrogen bond donor(s) and 4 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-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile?
The CAS number of 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile is 89282-23-5.
What is the molecular formula of 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile?
The molecular formula of 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile is C5H4N4O2.
What is the molecular weight of 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile?
The molecular weight of 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile is 152.03 g/mol.
Where can I buy 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile?
You can request a quote for 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.