7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one
TL;DR: 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one (CAS 68384-31-6) is a chemical compound with molecular formula C5H6N6O and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-3-methyl-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
Also Known As: 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one, 7-Imino-3-methyl-6,7-dihydro[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 7-amino-3-methyl-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one, 7-amino-3-methyl-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-o, [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 7-amino-3-methyl-
| Molecular Formula | C5H6N6O |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 166.0603 |
| Heavy Atoms | 12 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 68384-31-6 |
|---|---|
| SMILES | CC1=NN=C2N=C(NN2C1=O)N |
| InChIKey | BWERHCUSTIXASF-UHFFFAOYSA-N |
Product Overview
7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one (CAS 68384-31-6), with molecular formula C5H6N6O and molecular weight 166.06 g/mol. IUPAC: 7-amino-3-methyl-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one.
Chemical Property Profile of 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one
Property Insights of 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one
The XLogP value of -1.4 indicates that 7-Imino-3-methyl-6,7-dihydro(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 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one. Following Lipinski's Rule of Five, 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one has 2 hydrogen bond donor(s) and 3 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 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one?
The CAS number of 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one is 68384-31-6.
What is the molecular formula of 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one?
The molecular formula of 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one is C5H6N6O.
What is the molecular weight of 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one?
The molecular weight of 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one is 166.06 g/mol.
Where can I buy 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one?
You can request a quote for 7-Imino-3-methyl-6,7-dihydro(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 7-Imino-3-methyl-6,7-dihydro(1,2,4)triazolo(5,1-c)(1,2,4)triazin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Imino-3-methyl-6,7-dihydro(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.