1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one
TL;DR: 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one (CAS 6969-71-7) is a chemical compound with molecular formula C6H5N3O and molecular weight 135.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Also Known As: 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one, [1,2,4]Triazolo[4,3-a]pyridin-3(2H)-one, TRIAZOLOPYRIDINONE, Trazodone Impurity 12, Trazodone Triazolopyridinone
| Molecular Formula | C6H5N3O |
|---|---|
| Molecular Weight | 135.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.04326 |
| Heavy Atoms | 10 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 6969-71-7 |
|---|---|
| SMILES | C1=CC2=NNC(=O)N2C=C1 |
| InChIKey | LJRXNXBFJXXRNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one (CAS 6969-71-7), with molecular formula C6H5N3O and molecular weight 135.04 g/mol. IUPAC: 2H-[1,2,4]triazolo[4,3-a]pyridin-3-one.
Chemical Property Profile of 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one
Property Insights of 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one. With a topological polar surface area (TPSA) of 44.7 Ų, 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one has 1 hydrogen bond donor(s) and 2 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 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one?
The CAS number of 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one is 6969-71-7.
What is the molecular formula of 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one?
The molecular formula of 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one is C6H5N3O.
What is the molecular weight of 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one?
The molecular weight of 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one is 135.04 g/mol.
Where can I buy 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one?
You can request a quote for 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.