4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one
TL;DR: 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one (CAS 77126-84-2) is a chemical compound with molecular formula C10H11N5O and molecular weight 217.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one
Also Known As: 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one, 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one, 4-Amino-3-anilino-6-methyl-4,5-dihydro-1,2,4-triazin-5-one, 4-Amino-3-anilino-6-methyl-1,2,4-triazin-5(4H)-one, 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5-one
| Molecular Formula | C10H11N5O |
|---|---|
| Molecular Weight | 217.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.09636 |
| Heavy Atoms | 16 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 77126-84-2 |
|---|---|
| SMILES | CC1=NN=C(N(C1=O)N)NC2=CC=CC=C2 |
| InChIKey | KQCIEKNGPGUFCQ-UHFFFAOYSA-N |
Product Overview
4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one (CAS 77126-84-2), with molecular formula C10H11N5O and molecular weight 217.10 g/mol. IUPAC: 4-amino-3-anilino-6-methyl-1,2,4-triazin-5-one.
Chemical Property Profile of 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one
Property Insights of 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one. Following Lipinski's Rule of Five, 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-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 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one?
The CAS number of 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one is 77126-84-2.
What is the molecular formula of 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one?
The molecular formula of 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one is C10H11N5O.
What is the molecular weight of 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one?
The molecular weight of 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one is 217.10 g/mol.
Where can I buy 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one?
You can request a quote for 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-6-methyl-3-(phenylamino)-1,2,4-triazin-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.