NCIOpen2_006611
TL;DR: NCIOpen2_006611 (CAS 5060-74-2) is a chemical compound with molecular formula C6H5N5O4 and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-8-nitro-1H-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-dione
Also Known As: NCIOpen2_006611, 6-methyl-8-nitro[1,2,4]triazolo[4,3-c]pyrimidine-5,7(1h,6h)-dione, 8-(Hydroxy(oxido)amino)-6-methyl(1,2,4)triazolo(4,3-c)pyrimidine-5,7(1H,6H)-dione, 6-methyl-8-nitro-1H-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-dione, 5,7-Dioxo-6-methyl-8-nitro-1,5,6,7-tetrahydro-1,3,5-triazolo<4,3-c>pyrimidin
| Molecular Formula | C6H5N5O4 |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.03415 |
| Heavy Atoms | 15 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 5060-74-2 |
|---|---|
| SMILES | CN1C(=O)C(=C2NN=CN2C1=O)[N+](=O)[O-] |
| InChIKey | MNDBHAVQFBUIIQ-UHFFFAOYSA-N |
Product Overview
NCIOpen2_006611 (CAS 5060-74-2), with molecular formula C6H5N5O4 and molecular weight 211.03 g/mol. IUPAC: 6-methyl-8-nitro-1H-[1,2,4]triazolo[4,3-c]pyrimidine-5,7-dione.
Chemical Property Profile of NCIOpen2_006611
Property Insights of NCIOpen2_006611
The XLogP value of -0.5 indicates that NCIOpen2_006611 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCIOpen2_006611. Following Lipinski's Rule of Five, NCIOpen2_006611 has 1 hydrogen bond donor(s) and 6 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 NCIOpen2_006611?
The CAS number of NCIOpen2_006611 is 5060-74-2.
What is the molecular formula of NCIOpen2_006611?
The molecular formula of NCIOpen2_006611 is C6H5N5O4.
What is the molecular weight of NCIOpen2_006611?
The molecular weight of NCIOpen2_006611 is 211.03 g/mol.
Where can I buy NCIOpen2_006611?
You can request a quote for NCIOpen2_006611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_006611?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_006611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.