isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate
TL;DR: isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate (CAS 89488-98-2) is a chemical compound with molecular formula C6H10N4O2 and molecular weight 170.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-amino-1H-1,2,4-triazole-5-carboxylate
Also Known As: isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate, 1-Methylethyl 5-amino-1H-1,2,4-triazole-3-carboxylate, AS-871/40715667, propan-2-yl 3-amino-1H-1,2,4-triazole-5-carboxylate, Propan-2-yl 5-amino-4H-1,2,4-triazole-3-carboxylate
| Molecular Formula | C6H10N4O2 |
|---|---|
| Molecular Weight | 170.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.08037 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 89488-98-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=NC(=NN1)N |
| InChIKey | AJAVMVQLHPWYBA-UHFFFAOYSA-N |
Product Overview
isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate (CAS 89488-98-2), with molecular formula C6H10N4O2 and molecular weight 170.08 g/mol. IUPAC: propan-2-yl 3-amino-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate
Property Insights of isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate. Following Lipinski's Rule of Five, isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate has 2 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 isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate?
The CAS number of isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate is 89488-98-2.
What is the molecular formula of isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate?
The molecular formula of isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate is C6H10N4O2.
What is the molecular weight of isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate?
The molecular weight of isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate is 170.08 g/mol.
Where can I buy isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate?
You can request a quote for isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 3-amino-1H-1,2,4-triazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.