![N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide structure](/static/products/806/80616-57-5.png)
N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide
TL;DR: N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide (CAS 80616-57-5) is a chemical compound with molecular formula C8H13N5O2 and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(propanoylamino)-1H-1,2,4-triazol-5-yl]propanamide
Also Known As: J1.591.797K, N-[3-(propanoylamino)-1H-1,2,4-triazol-5-yl]propanamide, N-[5-(PROPANOYLAMINO)-2H-1,2,4-TRIAZOL-3-YL]PROPANAMIDE, N,N'-(1H-1,2,4-Triazole-3,5-diyl)dipropanamide, N-(3-propanamido-1H-1,2,4-triazol-5-yl)propanamide
| Molecular Formula | C8H13N5O2 |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.10692 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 80616-57-5 |
|---|---|
| SMILES | CCC(=O)NC1=NC(=NN1)NC(=O)CC |
| InChIKey | MROIRCYPAFUJAB-UHFFFAOYSA-N |
Product Overview
N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide (CAS 80616-57-5), with molecular formula C8H13N5O2 and molecular weight 211.11 g/mol. IUPAC: N-[3-(propanoylamino)-1H-1,2,4-triazol-5-yl]propanamide.
Chemical Property Profile of N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide
Property Insights of N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide
The XLogP value of -0.1 indicates that N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide. Following Lipinski's Rule of Five, N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide 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 N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide?
The CAS number of N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide is 80616-57-5.
What is the molecular formula of N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide?
The molecular formula of N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide is C8H13N5O2.
What is the molecular weight of N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide?
The molecular weight of N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide is 211.11 g/mol.
Where can I buy N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide?
You can request a quote for N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-(Propanoylamino)-2H-1,2,4-triazol-3-YL]propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.