![N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide structure](/static/products/109/1093070-91-7.png)
N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
TL;DR: N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CAS 1093070-91-7) is a chemical compound with molecular formula C12H9FN6O4 and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluoro-3-nitrophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
Also Known As: N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide, N-(4-fluoro-3-nitrophenyl)(7-oxo(4,5,6,8-tetrahydro-1,2,4-triazolo[1,5-a]pyrim idin-5-yl))carboxamide, N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide, N-(4-FLUORO-3-NITROPHENYL)-7-OXO-4H,5H,6H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-5-CARBOXAMIDE, N-(4-fluoro-3-nitrophenyl)-7-oxo-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
| Molecular Formula | C12H9FN6O4 |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 0.7885 |
| Topological Polar Surface Area | 132.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.06693 |
| Heavy Atoms | 23 |
| Complexity | 819.63226 |
Chemical Identifiers
| CAS Number | 1093070-91-7 |
|---|---|
| SMILES | C1C(NC2=NC=NN2C1=O)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-] |
Product Overview
N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CAS 1093070-91-7), with molecular formula C12H9FN6O4 and molecular weight 320.07 g/mol. IUPAC: N-(4-fluoro-3-nitrophenyl)-7-oxo-5,6-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
Chemical Property Profile of N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
Property Insights of N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
The XLogP value of 0.7885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide. The TPSA of 132.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide. Following Lipinski's Rule of Five, N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has 2 hydrogen bond donor(s) and 7 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 N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The CAS number of N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is 1093070-91-7.
What is the molecular formula of N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The molecular formula of N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is C12H9FN6O4.
What is the molecular weight of N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The molecular weight of N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is 320.07 g/mol.
Where can I buy N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
You can request a quote for N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluoro-3-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.