6-Amino-1,3,5-triazin-2(1H)-one
TL;DR: 6-Amino-1,3,5-triazin-2(1H)-one (CAS 931-86-2) 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.
6-amino-1H-1,3,5-triazin-2-one
Also Known As: 5-Azacytosine, 5-aza cytosine, azacytosine, 4-Amino-1,3,5-triazin-2-ol, 6-amino-1H-1,3,5-triazin-2-one
| 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 | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.03851 |
| Heavy Atoms | 8 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 931-86-2 |
|---|---|
| SMILES | C1=NC(=O)NC(=N1)N |
| InChIKey | MFEFTTYGMZOIKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Amino-1,3,5-triazin-2(1H)-one (CAS 931-86-2), with molecular formula C3H4N4O and molecular weight 112.04 g/mol. IUPAC: 6-amino-1H-1,3,5-triazin-2-one.
Chemical Property Profile of 6-Amino-1,3,5-triazin-2(1H)-one
Property Insights of 6-Amino-1,3,5-triazin-2(1H)-one
The XLogP value of -1.2 indicates that 6-Amino-1,3,5-triazin-2(1H)-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 6-Amino-1,3,5-triazin-2(1H)-one. Following Lipinski's Rule of Five, 6-Amino-1,3,5-triazin-2(1H)-one has 2 hydrogen bond donor(s) and 1 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 6-Amino-1,3,5-triazin-2(1H)-one?
The CAS number of 6-Amino-1,3,5-triazin-2(1H)-one is 931-86-2.
What is the molecular formula of 6-Amino-1,3,5-triazin-2(1H)-one?
The molecular formula of 6-Amino-1,3,5-triazin-2(1H)-one is C3H4N4O.
What is the molecular weight of 6-Amino-1,3,5-triazin-2(1H)-one?
The molecular weight of 6-Amino-1,3,5-triazin-2(1H)-one is 112.04 g/mol.
Where can I buy 6-Amino-1,3,5-triazin-2(1H)-one?
You can request a quote for 6-Amino-1,3,5-triazin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-1,3,5-triazin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1,3,5-triazin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.