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

C6H9Cl2N5O2S — CID 106341533

IUPAC2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C6H9Cl2N5O2S/c1-9-16(14,15)3-2-10-5-4(7)12-13-6(8)11-5/h9H,2-3H2,1H3,(H,10,11,13)
InChIKeyXTLKASUMQKSRPL-UHFFFAOYSA-N
MW286.14 g/mol
LogP0.14
Rot. Bonds5

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

2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide (PubChem CID 106341533) has the molecular formula C6H9Cl2N5O2S and a molecular weight of 286.14 g/mol. Its IUPAC name is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide
PubChem CID106341533
Molecular FormulaC6H9Cl2N5O2S
Molecular Weight286.14 g/mol
Exact Mass284.99
IUPAC Name2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(Cl)nnc1Cl
InChIInChI=1S/C6H9Cl2N5O2S/c1-9-16(14,15)3-2-10-5-4(7)12-13-6(8)11-5/h9H,2-3H2,1H3,(H,10,11,13)
InChIKeyXTLKASUMQKSRPL-UHFFFAOYSA-N
XLogP0.14
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 50.14
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-ethylethanesulfonamide
CID 106341596
2-[(3-chloropyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106341535
3,6-dichloro-N-(3,3,3-trifluoropropyl)-1,2,4-triazin-5-amine
CID 81037431
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]propan-1-ol
CID 81038146
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 81036688
N-(3,6-dichloro-1,2,4-triazin-5-yl)-N',N'-diethylethane-1,2-diamine
CID 81035871
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341549
3-[2-(methylsulfamoyl)ethylamino]pyrazine-2-carbothioamide
CID 106339226
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035680
3,6-dichloro-N-(3-propoxypropyl)-1,2,4-triazin-5-amine
CID 82943113
3-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106279604
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-N-methylethanesulfonamide
CID 106545836

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide (CID 106341533) is 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1nc(Cl)nnc1Cl.
What is the InChIKey of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide?
The InChIKey is XTLKASUMQKSRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2N5O2S/c1-9-16(14,15)3-2-10-5-4(7)12-13-6(8)11-5/h9H,2-3H2,1H3,(H,10,11,13).
What are the key properties of 2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide?
2-[(3,6-dichloro-1,2,4-triazin-5-yl)amino]-N-methylethanesulfonamide has a molecular weight of 286.14 g/mol, XLogP of 0.14, 5 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-methylethanesulfonamide is sourced from PubChem (CID 106341533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).