5-methyl-4H-1,2,4-triazole-3-carbaldehyde
TL;DR: 5-methyl-4H-1,2,4-triazole-3-carbaldehyde (CAS 56804-98-9) is a chemical compound with molecular formula C4H5N3O and molecular weight 111.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1H-1,2,4-triazole-3-carbaldehyde
Also Known As: 5-Methyl-4H-1,2,4-triazole-3-carbaldehyde, 3-Methyl-1H-1,2,4-triazole-5-carbaldehyde, 5-methyl-1H-1,2,4-triazole-3-carbaldehyde, 1H-1,2,4-Triazole-3-carboxaldehyde, 5-methyl-, 1H-1,2,4-Triazole-3-carboxaldehyde,5-methyl
| Molecular Formula | C4H5N3O |
|---|---|
| Molecular Weight | 111.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.04326 |
| Heavy Atoms | 8 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 56804-98-9 |
|---|---|
| SMILES | CC1=NC(=NN1)C=O |
| InChIKey | TXNWXXKJPZYOKA-UHFFFAOYSA-N |
Product Overview
5-methyl-4H-1,2,4-triazole-3-carbaldehyde (CAS 56804-98-9), with molecular formula C4H5N3O and molecular weight 111.04 g/mol. IUPAC: 5-methyl-1H-1,2,4-triazole-3-carbaldehyde.
Chemical Property Profile of 5-methyl-4H-1,2,4-triazole-3-carbaldehyde
Property Insights of 5-methyl-4H-1,2,4-triazole-3-carbaldehyde
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4H-1,2,4-triazole-3-carbaldehyde. With a topological polar surface area (TPSA) of 58.6 Ų, 5-methyl-4H-1,2,4-triazole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-4H-1,2,4-triazole-3-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 5-methyl-4H-1,2,4-triazole-3-carbaldehyde?
The CAS number of 5-methyl-4H-1,2,4-triazole-3-carbaldehyde is 56804-98-9.
What is the molecular formula of 5-methyl-4H-1,2,4-triazole-3-carbaldehyde?
The molecular formula of 5-methyl-4H-1,2,4-triazole-3-carbaldehyde is C4H5N3O.
What is the molecular weight of 5-methyl-4H-1,2,4-triazole-3-carbaldehyde?
The molecular weight of 5-methyl-4H-1,2,4-triazole-3-carbaldehyde is 111.04 g/mol.
Where can I buy 5-methyl-4H-1,2,4-triazole-3-carbaldehyde?
You can request a quote for 5-methyl-4H-1,2,4-triazole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-4H-1,2,4-triazole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4H-1,2,4-triazole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.