(5-amino-1H-1,2,4-triazol-3-yl)methanol
TL;DR: (5-amino-1H-1,2,4-triazol-3-yl)methanol (CAS 72816-89-8) is a chemical compound with molecular formula C3H6N4O and molecular weight 114.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-1H-1,2,4-triazol-5-yl)methanol
Also Known As: (5-amino-1H-1,2,4-triazol-3-yl)methanol, methanol, (5-Amino-1H-[1,2,4]triazol-3-yl)-methanol, (3-amino-1H-1,2,4-triazol-5-yl)methanol, 5-amino-1H-1,2,4-Triazole-3-methanol
| Molecular Formula | C3H6N4O |
|---|---|
| Molecular Weight | 114.05 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 87.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 114.05416 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 72816-89-8 |
|---|---|
| SMILES | C(C1=NC(=NN1)N)O |
| InChIKey | WQWSMVWRGAFPJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5-amino-1H-1,2,4-triazol-3-yl)methanol (CAS 72816-89-8), with molecular formula C3H6N4O and molecular weight 114.05 g/mol. IUPAC: (3-amino-1H-1,2,4-triazol-5-yl)methanol.
Chemical Property Profile of (5-amino-1H-1,2,4-triazol-3-yl)methanol
Property Insights of (5-amino-1H-1,2,4-triazol-3-yl)methanol
The XLogP value of -1.2 indicates that (5-amino-1H-1,2,4-triazol-3-yl)methanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-amino-1H-1,2,4-triazol-3-yl)methanol. Following Lipinski's Rule of Five, (5-amino-1H-1,2,4-triazol-3-yl)methanol has 3 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-amino-1H-1,2,4-triazol-3-yl)methanol?
The CAS number of (5-amino-1H-1,2,4-triazol-3-yl)methanol is 72816-89-8.
What is the molecular formula of (5-amino-1H-1,2,4-triazol-3-yl)methanol?
The molecular formula of (5-amino-1H-1,2,4-triazol-3-yl)methanol is C3H6N4O.
What is the molecular weight of (5-amino-1H-1,2,4-triazol-3-yl)methanol?
The molecular weight of (5-amino-1H-1,2,4-triazol-3-yl)methanol is 114.05 g/mol.
Where can I buy (5-amino-1H-1,2,4-triazol-3-yl)methanol?
You can request a quote for (5-amino-1H-1,2,4-triazol-3-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-amino-1H-1,2,4-triazol-3-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (5-amino-1H-1,2,4-triazol-3-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.