![4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione structure](/static/products/547/5478-56-8.png)
4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione
TL;DR: 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione (CAS 5478-56-8) is a chemical compound with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione
Also Known As: 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione, 4-Butyl-6-methyl-2H-[1,2,3]triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, 2-butyl-4-methyl-2,4,7,8,9-pentazabicyclo[4.3.0]nona-6,9-diene-3,5-dione
| Molecular Formula | C9H13N5O2 |
|---|---|
| Molecular Weight | 223.11 g/mol |
| LogP | -0.3816 |
| Topological Polar Surface Area | 85.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.10692 |
| Heavy Atoms | 16 |
| Complexity | 620.84155 |
Chemical Identifiers
| CAS Number | 5478-56-8 |
|---|---|
| SMILES | CCCCN1C2=NNN=C2C(=O)N(C1=O)C |
Product Overview
4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione (CAS 5478-56-8), with molecular formula C9H13N5O2 and molecular weight 223.11 g/mol. IUPAC: 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione.
Chemical Property Profile of 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione
Property Insights of 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione
The XLogP value of -0.3816 indicates that 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione. Following Lipinski's Rule of Five, 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione 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 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione?
The CAS number of 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione is 5478-56-8.
What is the molecular formula of 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione?
The molecular formula of 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione is C9H13N5O2.
What is the molecular weight of 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione?
The molecular weight of 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione is 223.11 g/mol.
Where can I buy 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione?
You can request a quote for 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-6-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.