![3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one structure](/static/products/915/91599-46-1.png)
3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one
TL;DR: 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one (CAS 91599-46-1) is a chemical compound with molecular formula C4H4N6O and molecular weight 152.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
Also Known As: SDCCGSBI-0658350.P001, 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 3-amino-1H-1,2,4-triazolo[5,1-c]1,2,4-triazin-4-one, A3380/0143438, 3-amino-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
| Molecular Formula | C4H4N6O |
|---|---|
| Molecular Weight | 152.04 g/mol |
| LogP | -1.6052 |
| Topological Polar Surface Area | 101.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.04466 |
| Heavy Atoms | 11 |
| Complexity | 441.02417 |
Chemical Identifiers
| CAS Number | 91599-46-1 |
|---|---|
| SMILES | C1=NC2=NN=C(C(=O)N2N1)N |
Product Overview
3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one (CAS 91599-46-1), with molecular formula C4H4N6O and molecular weight 152.04 g/mol. IUPAC: 3-amino-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one.
Chemical Property Profile of 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one
Property Insights of 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one
The XLogP value of -1.6052 indicates that 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one. Following Lipinski's Rule of Five, 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one has 2 hydrogen bond donor(s) and 5 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-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one?
The CAS number of 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one is 91599-46-1.
What is the molecular formula of 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one?
The molecular formula of 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one is C4H4N6O.
What is the molecular weight of 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one?
The molecular weight of 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one is 152.04 g/mol.
Where can I buy 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one?
You can request a quote for 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-amino[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.