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

C7H11Cl2N5O2S — CID 106341596

IUPAC2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C7H11Cl2N5O2S/c1-2-11-17(15,16)4-3-10-6-5(8)13-14-7(9)12-6/h11H,2-4H2,1H3,(H,10,12,14)
InChIKeyUEIWQYYGXGFWPZ-UHFFFAOYSA-N
MW300.17 g/mol
LogP0.53
Rot. Bonds6

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

2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide (PubChem CID 106341596) has the molecular formula C7H11Cl2N5O2S and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide
PubChem CID106341596
Molecular FormulaC7H11Cl2N5O2S
Molecular Weight300.17 g/mol
Exact Mass299.00
IUPAC Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C7H11Cl2N5O2S/c1-2-11-17(15,16)4-3-10-6-5(8)13-14-7(9)12-6/h11H,2-4H2,1H3,(H,10,12,14)
InChIKeyUEIWQYYGXGFWPZ-UHFFFAOYSA-N
XLogP0.53
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide
CID 106341533
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175880
2-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]-N-ethylethanesulfonamide
CID 106341600
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341566
2-[(6-chloro-5-formylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 114175883
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
CID 81035871
3-chloro-2-[2-(ethylsulfamoyl)ethylamino]pyridine-4-carboxylic acid
CID 106342812
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-ethylethanesulfonamide
CID 104924254
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-ethylethanesulfonamide
CID 106338129
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 81036688
3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine
CID 82943113

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide (CID 106341596) is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1nc(Cl)nnc1Cl.
What is the InChIKey of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is UEIWQYYGXGFWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2N5O2S/c1-2-11-17(15,16)4-3-10-6-5(8)13-14-7(9)12-6/h11H,2-4H2,1H3,(H,10,12,14).
What are the key properties of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide?
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 300.17 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106341596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).