4-Amino-4H-1,2,4-triazole-3,5-dimethanol
TL;DR: 4-Amino-4H-1,2,4-triazole-3,5-dimethanol (CAS 21531-98-6) is a chemical compound with molecular formula C4H8N4O2 and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-amino-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol
Also Known As: 4-Amino-4H-1,2,4-triazole-3,5-dimethanol, 4-amino-3,5-bis(hydroxymethyl)-4H-1,2,4-triazole, 4H-1,2,4-Triazole-3,5-dimethanol, 4-amino-, [4-amino-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol, [4-amino-5-(hydroxymethyl)-4H-1,2,4-triazol-3-yl]methanol
| Molecular Formula | C4H8N4O2 |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | -2.0235 |
| Topological Polar Surface Area | 97.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.06473 |
| Heavy Atoms | 10 |
| Complexity | 199.53221 |
Chemical Identifiers
| CAS Number | 21531-98-6 |
|---|---|
| SMILES | C(C1=NN=C(N1N)CO)O |
Product Overview
4-Amino-4H-1,2,4-triazole-3,5-dimethanol (CAS 21531-98-6), with molecular formula C4H8N4O2 and molecular weight 144.06 g/mol. IUPAC: [4-amino-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol.
Chemical Property Profile of 4-Amino-4H-1,2,4-triazole-3,5-dimethanol
Property Insights of 4-Amino-4H-1,2,4-triazole-3,5-dimethanol
The XLogP value of -2.0235 indicates that 4-Amino-4H-1,2,4-triazole-3,5-dimethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 97.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-4H-1,2,4-triazole-3,5-dimethanol. Following Lipinski's Rule of Five, 4-Amino-4H-1,2,4-triazole-3,5-dimethanol has 3 hydrogen bond donor(s) and 5 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 4-Amino-4H-1,2,4-triazole-3,5-dimethanol?
The CAS number of 4-Amino-4H-1,2,4-triazole-3,5-dimethanol is 21531-98-6.
What is the molecular formula of 4-Amino-4H-1,2,4-triazole-3,5-dimethanol?
The molecular formula of 4-Amino-4H-1,2,4-triazole-3,5-dimethanol is C4H8N4O2.
What is the molecular weight of 4-Amino-4H-1,2,4-triazole-3,5-dimethanol?
The molecular weight of 4-Amino-4H-1,2,4-triazole-3,5-dimethanol is 144.06 g/mol.
Where can I buy 4-Amino-4H-1,2,4-triazole-3,5-dimethanol?
You can request a quote for 4-Amino-4H-1,2,4-triazole-3,5-dimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-4H-1,2,4-triazole-3,5-dimethanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-4H-1,2,4-triazole-3,5-dimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.