4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one

C11H12N4OS — CID 13458079

IUPAC4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nnc(Cc2ccccc2)c(=O)n1N
InChIInChI=1S/C11H12N4OS/c1-17-11-14-13-9(10(16)15(11)12)7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3
InChIKeyWQGUMNBUPXGXAP-UHFFFAOYSA-N
MW248.31 g/mol
LogP0.66
Rot. Bonds3

About 4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one

4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one (PubChem CID 13458079) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one
PubChem CID13458079
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nnc(Cc2ccccc2)c(=O)n1N
InChIInChI=1S/C11H12N4OS/c1-17-11-14-13-9(10(16)15(11)12)7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3
InChIKeyWQGUMNBUPXGXAP-UHFFFAOYSA-N
XLogP0.66
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-6-benzyl-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

Related Compounds

Metamitron
CID 38854
4-Amino-6-methyl-3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one
CID 7196687
4-Amino-3-benzylsulfanyl-6-methyl-1,2,4-triazin-5-one
CID 7196680
3-(Methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one
CID 135450607
4-amino-3-(cinnamylthio)-6-methyl-1,2,4-triazin-5(4H)-one
CID 7196621
4-Amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one
CID 7196691
4-Amino-6-methyl-3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one
CID 7196696
3-benzyl-7-(methylthio)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 2825642
Bay-79758
CID 12295785
6-Benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135479640
3,4-Diamino-6-(2-phenylethyl)-4,5-dihydro-1,2,4-triazin-5-one
CID 4962893
4-Amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
CID 7196701

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one (CID 13458079) is 4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one is CSc1nnc(Cc2ccccc2)c(=O)n1N.
What is the InChIKey of 4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one?
The InChIKey is WQGUMNBUPXGXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-17-11-14-13-9(10(16)15(11)12)7-8-5-3-2-4-6-8/h2-6H,7,12H2,1H3.
What are the key properties of 4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one?
4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one has a molecular weight of 248.31 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-benzyl-3-methylsulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 13458079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).