2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione

C8H14N4O2S — CID 60658919

IUPAC2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione
SMILESCSCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O2S/c1-11-7(13)6(9-4-5-15-3)10-12(2)8(11)14/h4-5H2,1-3H3,(H,9,10)
InChIKeyFSZUWQGLPHPQSY-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.75
Rot. Bonds4

About 2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione (PubChem CID 60658919) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione
PubChem CID60658919
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione
SMILESCSCCNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H14N4O2S/c1-11-7(13)6(9-4-5-15-3)10-12(2)8(11)14/h4-5H2,1-3H3,(H,9,10)
InChIKeyFSZUWQGLPHPQSY-UHFFFAOYSA-N
XLogP-0.75
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione (CID 60658919) is 2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione is CSCCNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is FSZUWQGLPHPQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-11-7(13)6(9-4-5-15-3)10-12(2)8(11)14/h4-5H2,1-3H3,(H,9,10).
What are the key properties of 2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione has a molecular weight of 230.29 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60658919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).