2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
TL;DR: 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one (CAS 885867-96-9) is a chemical compound with molecular formula C6H6ClN5O and molecular weight 199.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-(chloromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: 2-amino-5-(chloromethyl)-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2-Amino-5-(chloromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(3h)-one, 2-amino-5-(chloromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2-amino-5-(chloromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-amino-5-(chloromethyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C6H6ClN5O |
|---|---|
| Molecular Weight | 199.03 g/mol |
| LogP | -0.2614 |
| Topological Polar Surface Area | 89.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.0261 |
| Heavy Atoms | 13 |
| Complexity | 501.18417 |
Chemical Identifiers
| CAS Number | 885867-96-9 |
|---|---|
| SMILES | C1=C(N=C2N=C(NN2C1=O)N)CCl |
Product Overview
2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one (CAS 885867-96-9), with molecular formula C6H6ClN5O and molecular weight 199.03 g/mol. IUPAC: 2-amino-5-(chloromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
Property Insights of 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one
The XLogP value of -0.2614 indicates that 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one. Following Lipinski's Rule of Five, 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-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 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one?
The CAS number of 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one is 885867-96-9.
What is the molecular formula of 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one?
The molecular formula of 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one is C6H6ClN5O.
What is the molecular weight of 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one?
The molecular weight of 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one is 199.03 g/mol.
Where can I buy 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one?
You can request a quote for 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-5-(chloromethyl)-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.