5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde
TL;DR: 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde (CAS 869722-17-8) is a chemical compound with molecular formula C6H10N4O and molecular weight 154.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(dimethylamino)methyl]-2H-triazole-4-carbaldehyde
Also Known As: 5-[(dimethylamino)methyl]-2H-triazole-4-carbaldehyde, 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde, J1.561.576A, 4-n,n-dimethylaminomethyl-5-formyl-1,2,3-triazole, 2H-1,2,3-Triazole-4-carboxaldehyde,5-[ methyl]-
| Molecular Formula | C6H10N4O |
|---|---|
| Molecular Weight | 154.09 g/mol |
| LogP | -0.3212 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.08546 |
| Heavy Atoms | 11 |
| Complexity | 242.48524 |
Chemical Identifiers
| CAS Number | 869722-17-8 |
|---|---|
| SMILES | CN(C)CC1=NNN=C1C=O |
Product Overview
5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde (CAS 869722-17-8), with molecular formula C6H10N4O and molecular weight 154.09 g/mol. IUPAC: 5-[(dimethylamino)methyl]-2H-triazole-4-carbaldehyde.
Chemical Property Profile of 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde
Property Insights of 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde
The XLogP value of -0.3212 indicates that 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde. Following Lipinski's Rule of Five, 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde has 1 hydrogen bond donor(s) and 4 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 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde?
The CAS number of 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde is 869722-17-8.
What is the molecular formula of 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde?
The molecular formula of 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde is C6H10N4O.
What is the molecular weight of 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde?
The molecular weight of 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde is 154.09 g/mol.
Where can I buy 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde?
You can request a quote for 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-((dimethylamino)methyl)-2H-1,2,3-triazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.