2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide

C9H17N5O2S — CID 104924254

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nnc(C)c(C)n1
InChIInChI=1S/C9H17N5O2S/c1-4-11-17(15,16)6-5-10-9-12-7(2)8(3)13-14-9/h11H,4-6H2,1-3H3,(H,10,12,14)
InChIKeyFMAUFRLIUJBMKB-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.16
Rot. Bonds6

About 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide (PubChem CID 104924254) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide
PubChem CID104924254
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nnc(C)c(C)n1
InChIInChI=1S/C9H17N5O2S/c1-4-11-17(15,16)6-5-10-9-12-7(2)8(3)13-14-9/h11H,4-6H2,1-3H3,(H,10,12,14)
InChIKeyFMAUFRLIUJBMKB-UHFFFAOYSA-N
XLogP-0.16
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide
CID 106545836
N-ethyl-2-[(5-methylpyrimidin-2-yl)amino]ethanesulfonamide
CID 103858115
6-[2-(ethylsulfamoyl)ethylamino]-2-methylpyridine-3-carboxylic acid
CID 106339913
N-ethyl-2-[[6-methyl-2-(methylamino)-5-nitropyrimidin-4-yl]amino]ethanesulfonamide
CID 106343428
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylethanesulfonamide
CID 106343446
5,6-dimethyl-N-(2-methylsulfinylethyl)-1,2,4-triazin-3-amine
CID 114448572
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide
CID 106341596
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 23349917
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175880
N-ethyl-2-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 106343315
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566
N-ethyl-2-[(5-nitropyrimidin-2-yl)amino]ethanesulfonamide
CID 104626060

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide (CID 104924254) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1nnc(C)c(C)n1.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is FMAUFRLIUJBMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-4-11-17(15,16)6-5-10-9-12-7(2)8(3)13-14-9/h11H,4-6H2,1-3H3,(H,10,12,14).
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 104924254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).