![7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile structure](/static/products/894/89488-67-5.png)
7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
TL;DR: 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CAS 89488-67-5) is a chemical compound with molecular formula C6H3N5O and molecular weight 161.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Also Known As: 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile, 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile, 7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile, 1,3,3a,7-Tetraaza-4-hydroxy-3aH-indene-5-carbonitrile, 7-Hydroxy[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
| Molecular Formula | C6H3N5O |
|---|---|
| Molecular Weight | 161.03 g/mol |
| LogP | -0.71072 |
| Topological Polar Surface Area | 86.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.03375 |
| Heavy Atoms | 12 |
| Complexity | 516.45337 |
Chemical Identifiers
| CAS Number | 89488-67-5 |
|---|---|
| SMILES | C1=C(C(=O)N2C(=N1)N=CN2)C#N |
Product Overview
7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CAS 89488-67-5), with molecular formula C6H3N5O and molecular weight 161.03 g/mol. IUPAC: 7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile.
Chemical Property Profile of 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Property Insights of 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
The XLogP value of -0.71072 indicates that 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile. Following Lipinski's Rule of Five, 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-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 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The CAS number of 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is 89488-67-5.
What is the molecular formula of 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The molecular formula of 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is C6H3N5O.
What is the molecular weight of 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
The molecular weight of 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile is 161.03 g/mol.
Where can I buy 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
You can request a quote for 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.