(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 488133-96-6) is a chemical compound with molecular formula C17H22N10O2 and molecular weight 398.19 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)-[4-(dimethylamino)phenyl]methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)-N-[(E)-(4-dimethylaminophenyl)methylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C17H22N10O2 |
|---|---|
| Molecular Weight | 398.19 g/mol |
| LogP | 0.124 |
| Topological Polar Surface Area | 143.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.19272 |
| Heavy Atoms | 29 |
| Complexity | 1003.6525 |
Chemical Identifiers
| CAS Number | 488133-96-6 |
|---|---|
| SMILES | CN(C)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=C(C=C3)N(C)C |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 488133-96-6), with molecular formula C17H22N10O2 and molecular weight 398.19 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 0.124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 143.59 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-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)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide has 2 hydrogen bond donor(s) and 10 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 (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 488133-96-6.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is C17H22N10O2.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide is 398.19 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-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)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-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)-N'-(4-(dimethylamino)benzylidene)-5-((dimethylamino)methyl)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.