1H-1,2,3-triazole-4-carbaldehyde
TL;DR: 1H-1,2,3-triazole-4-carbaldehyde (CAS 20209-76-1) is a chemical compound with molecular formula C3H3N3O and molecular weight 97.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-triazole-4-carbaldehyde
Also Known As: 1H-1,2,3-Triazole-4-carbaldehyde, 1H-[1,2,3]Triazole-4-carbaldehyde, 2H-triazole-4-carbaldehyde, triazole aldehyde, zlchem 759
| Molecular Formula | C3H3N3O |
|---|---|
| Molecular Weight | 97.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 97.02761 |
| Heavy Atoms | 7 |
| Complexity | 74.0 |
Chemical Identifiers
| CAS Number | 20209-76-1 |
|---|---|
| SMILES | C1=NNN=C1C=O |
| InChIKey | MOLKLIYWXFEEJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,3-triazole-4-carbaldehyde (CAS 20209-76-1), with molecular formula C3H3N3O and molecular weight 97.03 g/mol. IUPAC: 2H-triazole-4-carbaldehyde.
Chemical Property Profile of 1H-1,2,3-triazole-4-carbaldehyde
Property Insights of 1H-1,2,3-triazole-4-carbaldehyde
The XLogP value of -0.6 indicates that 1H-1,2,3-triazole-4-carbaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.6 Ų, 1H-1,2,3-triazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,3-triazole-4-carbaldehyde has 1 hydrogen bond donor(s) and 3 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 1H-1,2,3-triazole-4-carbaldehyde?
The CAS number of 1H-1,2,3-triazole-4-carbaldehyde is 20209-76-1.
What is the molecular formula of 1H-1,2,3-triazole-4-carbaldehyde?
The molecular formula of 1H-1,2,3-triazole-4-carbaldehyde is C3H3N3O.
What is the molecular weight of 1H-1,2,3-triazole-4-carbaldehyde?
The molecular weight of 1H-1,2,3-triazole-4-carbaldehyde is 97.03 g/mol.
Where can I buy 1H-1,2,3-triazole-4-carbaldehyde?
You can request a quote for 1H-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 1H-1,2,3-triazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,3-triazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.