6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one

C11H20N4OS — CID 14822075

IUPAC6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCNn1c(SC)nnc(C(C)(C)C(C)C)c1=O
InChIInChI=1S/C11H20N4OS/c1-7(2)11(3,4)8-9(16)15(12-5)10(17-6)14-13-8/h7,12H,1-6H3
InChIKeyIWSOOBHNBDJHMI-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.47
Rot. Bonds4

About 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one

6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one (PubChem CID 14822075) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one
PubChem CID14822075
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCNn1c(SC)nnc(C(C)(C)C(C)C)c1=O
InChIInChI=1S/C11H20N4OS/c1-7(2)11(3,4)8-9(16)15(12-5)10(17-6)14-13-8/h7,12H,1-6H3
InChIKeyIWSOOBHNBDJHMI-UHFFFAOYSA-N
XLogP1.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one (CID 14822075) is 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one is CNn1c(SC)nnc(C(C)(C)C(C)C)c1=O.
What is the InChIKey of 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
The InChIKey is IWSOOBHNBDJHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-7(2)11(3,4)8-9(16)15(12-5)10(17-6)14-13-8/h7,12H,1-6H3.
What are the key properties of 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one?
6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one has a molecular weight of 256.37 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylbutan-2-yl)-4-(methylamino)-3-methylsulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 14822075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).