(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 577990-21-7) is a chemical compound with molecular formula C15H16N10O4 and molecular weight 400.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-(2-nitrophenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)-N-[(E)-(2-nitrophenyl)methylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-[(E)-(2-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C15H16N10O4 |
|---|---|
| Molecular Weight | 400.14 g/mol |
| LogP | -0.0338 |
| Topological Polar Surface Area | 183.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1356 |
| Heavy Atoms | 29 |
| Complexity | 1070.744 |
Chemical Identifiers
| CAS Number | 577990-21-7 |
|---|---|
| SMILES | CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 577990-21-7), with molecular formula C15H16N10O4 and molecular weight 400.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-(2-nitrophenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of -0.0338 indicates that (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.49 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 577990-21-7.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is C15H16N10O4.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 400.14 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(2-nitrobenzylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.