![8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one structure](/static/products/1838/18381-53-8.webp)
8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
TL;DR: 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CAS 18381-53-8) is a chemical compound with molecular formula C5H4ClN5O and molecular weight 185.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
Also Known As: 8-Amino-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-ol, 7-Chloro-1,2,3-benzotriazin-4-ol, 7-Chlor-1,2,3-benzotriazin-4-on, 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one, 1,2,4-Triazolo[4,3-c]pyrimidin-3(2H)-one,8-amino-7-chloro-
| Molecular Formula | C5H4ClN5O |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.01044 |
| Heavy Atoms | 12 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 18381-53-8 |
|---|---|
| SMILES | C1=NC(=C(C2=NNC(=O)N21)N)Cl |
| InChIKey | XYZPQHDOYCOWBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CAS 18381-53-8), with molecular formula C5H4ClN5O and molecular weight 185.01 g/mol. IUPAC: 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
Chemical Property Profile of 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
Property Insights of 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
The XLogP value of -0.5 indicates that 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one. Following Lipinski's Rule of Five, 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has 2 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 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The CAS number of 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is 18381-53-8.
What is the molecular formula of 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The molecular formula of 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is C5H4ClN5O.
What is the molecular weight of 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The molecular weight of 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is 185.01 g/mol.
Where can I buy 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
You can request a quote for 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 8-amino-7-chloro-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.