5-amino-1,2,4-triazin-3(2H)-one
TL;DR: 5-amino-1,2,4-triazin-3(2H)-one (CAS 931-85-1) is a chemical compound with molecular formula C3H4N4O and molecular weight 112.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2H-1,2,4-triazin-3-one
Also Known As: 6-Azacytosine, 5-Amino-1,2,4-triazin-3(2H)-one, 6-aza-cytosine, 5-amino-2H-1,2,4-triazin-3-one, AZACYTOSINE, 6-
| Molecular Formula | C3H4N4O |
|---|---|
| Molecular Weight | 112.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.03851 |
| Heavy Atoms | 8 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 931-85-1 |
|---|---|
| SMILES | C1=NNC(=O)N=C1N |
| InChIKey | SVXNJCYYMRMXNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-amino-1,2,4-triazin-3(2H)-one (CAS 931-85-1), with molecular formula C3H4N4O and molecular weight 112.04 g/mol. IUPAC: 5-amino-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 5-amino-1,2,4-triazin-3(2H)-one
Property Insights of 5-amino-1,2,4-triazin-3(2H)-one
The XLogP value of -1.2 indicates that 5-amino-1,2,4-triazin-3(2H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1,2,4-triazin-3(2H)-one. Following Lipinski's Rule of Five, 5-amino-1,2,4-triazin-3(2H)-one has 2 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 5-amino-1,2,4-triazin-3(2H)-one?
The CAS number of 5-amino-1,2,4-triazin-3(2H)-one is 931-85-1.
What is the molecular formula of 5-amino-1,2,4-triazin-3(2H)-one?
The molecular formula of 5-amino-1,2,4-triazin-3(2H)-one is C3H4N4O.
What is the molecular weight of 5-amino-1,2,4-triazin-3(2H)-one?
The molecular weight of 5-amino-1,2,4-triazin-3(2H)-one is 112.04 g/mol.
Where can I buy 5-amino-1,2,4-triazin-3(2H)-one?
You can request a quote for 5-amino-1,2,4-triazin-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 5-amino-1,2,4-triazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1,2,4-triazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.