3-(1H-1,2,4-triazol-1-yl)propanamide
TL;DR: 3-(1H-1,2,4-triazol-1-yl)propanamide (CAS 60866-67-3) is a chemical compound with molecular formula C5H8N4O and molecular weight 140.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,2,4-triazol-1-yl)propanamide
Also Known As: 1H-1,2,4-triazole-1-propanamide, 3-(1H-1,2,4-triazol-1-yl)propanamide, 3-(1,2,4-triazol-1-yl)propanamide, InChI=1/C5H8N4O/c6-5(10)1-2-9-4-7-3-8-9/h3-4H,1-2H2,(H2,6,10
| Molecular Formula | C5H8N4O |
|---|---|
| Molecular Weight | 140.07 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.06981 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 60866-67-3 |
|---|---|
| SMILES | C1=NN(C=N1)CCC(=O)N |
| InChIKey | XWKHZZGMYLTPCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(1H-1,2,4-triazol-1-yl)propanamide (CAS 60866-67-3), with molecular formula C5H8N4O and molecular weight 140.07 g/mol. IUPAC: 3-(1,2,4-triazol-1-yl)propanamide.
Chemical Property Profile of 3-(1H-1,2,4-triazol-1-yl)propanamide
Property Insights of 3-(1H-1,2,4-triazol-1-yl)propanamide
The XLogP value of -1.2 indicates that 3-(1H-1,2,4-triazol-1-yl)propanamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-1,2,4-triazol-1-yl)propanamide. Following Lipinski's Rule of Five, 3-(1H-1,2,4-triazol-1-yl)propanamide 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 3-(1H-1,2,4-triazol-1-yl)propanamide?
The CAS number of 3-(1H-1,2,4-triazol-1-yl)propanamide is 60866-67-3.
What is the molecular formula of 3-(1H-1,2,4-triazol-1-yl)propanamide?
The molecular formula of 3-(1H-1,2,4-triazol-1-yl)propanamide is C5H8N4O.
What is the molecular weight of 3-(1H-1,2,4-triazol-1-yl)propanamide?
The molecular weight of 3-(1H-1,2,4-triazol-1-yl)propanamide is 140.07 g/mol.
Where can I buy 3-(1H-1,2,4-triazol-1-yl)propanamide?
You can request a quote for 3-(1H-1,2,4-triazol-1-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-1,2,4-triazol-1-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-1,2,4-triazol-1-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.