6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione

C6H10N4O4S — CID 60917782

IUPAC6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCS(=O)(=O)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O4S/c1-15(13,14)3-2-7-4-5(11)8-6(12)10-9-4/h2-3H2,1H3,(H,7,9)(H2,8,10,11,12)
InChIKeyCFSUSSNNXSEYKZ-UHFFFAOYSA-N
MW234.24 g/mol
LogP-2.09
Rot. Bonds4

About 6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione

6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 60917782) has the molecular formula C6H10N4O4S and a molecular weight of 234.24 g/mol. Its IUPAC name is 6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID60917782
Molecular FormulaC6H10N4O4S
Molecular Weight234.24 g/mol
Exact Mass234.04
IUPAC Name6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCS(=O)(=O)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O4S/c1-15(13,14)3-2-7-4-5(11)8-6(12)10-9-4/h2-3H2,1H3,(H,7,9)(H2,8,10,11,12)
InChIKeyCFSUSSNNXSEYKZ-UHFFFAOYSA-N
XLogP-2.09
TPSA124.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione (CID 60917782) is 6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione is CS(=O)(=O)CCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is CFSUSSNNXSEYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O4S/c1-15(13,14)3-2-7-4-5(11)8-6(12)10-9-4/h2-3H2,1H3,(H,7,9)(H2,8,10,11,12).
What are the key properties of 6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 234.24 g/mol, XLogP of -2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfonylethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60917782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).