6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
TL;DR: 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one (CAS 89283-88-5) is a chemical compound with molecular formula C5H3N5O3 and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: [1,2,4]Triazolo[1,5-a]pyrimidin-7(1H)-one, 6-nitro-, 6-Nitro-[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one, 6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 6-Nitro-4h,7h-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 6-Nitro[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
| Molecular Formula | C5H3N5O3 |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | -0.6742 |
| Topological Polar Surface Area | 106.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.02359 |
| Heavy Atoms | 13 |
| Complexity | 526.1945 |
Chemical Identifiers
| CAS Number | 89283-88-5 |
|---|---|
| SMILES | C1=C(C(=O)N2C(=N1)N=CN2)[N+](=O)[O-] |
Product Overview
6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one (CAS 89283-88-5), with molecular formula C5H3N5O3 and molecular weight 181.02 g/mol. IUPAC: 6-nitro-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
Property Insights of 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
The XLogP value of -0.6742 indicates that 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one. Following Lipinski's Rule of Five, 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one has 1 hydrogen bond donor(s) and 5 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 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one?
The CAS number of 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one is 89283-88-5.
What is the molecular formula of 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one?
The molecular formula of 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one is C5H3N5O3.
What is the molecular weight of 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one?
The molecular weight of 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one is 181.02 g/mol.
Where can I buy 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one?
You can request a quote for 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 6-nitro-4H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.