4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one

C12H14N4OS — CID 7196691

IUPAC4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one
SMILESCc1cccc(CSc2nnc(C)c(=O)n2N)c1
InChIInChI=1S/C12H14N4OS/c1-8-4-3-5-10(6-8)7-18-12-15-14-9(2)11(17)16(12)13/h3-6H,7,13H2,1-2H3
InChIKeyYTNNEIWCEDCYTG-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.26
Rot. Bonds3

About 4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one

4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one (PubChem CID 7196691) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one
PubChem CID7196691
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one
SMILESCc1cccc(CSc2nnc(C)c(=O)n2N)c1
InChIInChI=1S/C12H14N4OS/c1-8-4-3-5-10(6-8)7-18-12-15-14-9(2)11(17)16(12)13/h3-6H,7,13H2,1-2H3
InChIKeyYTNNEIWCEDCYTG-UHFFFAOYSA-N
XLogP1.26
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-3-[(3-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
CID 3437128
4-Amino-6-methyl-3-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one
CID 7196687
4-Amino-3-[(2-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
CID 7196692
4-Amino-3-[(2,5-dimethylphenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
CID 7196695
3-Methyl-7-[(2-methylphenyl)methylsulfanyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 7197239
4-Amino-3-benzylsulfanyl-6-methyl-1,2,4-triazin-5-one
CID 7196680
6-Methyl-3-phenethylsulfanyl-2H-[1,2,4]triazin-5-one
CID 135399067
4-amino-3-(cinnamylthio)-6-methyl-1,2,4-triazin-5(4H)-one
CID 7196621
4-Amino-6-methyl-3-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one
CID 7196696
3-Methyl-7-[(4-methylphenyl)methylsulfanyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 7197243
3-Methyl-7-[(3-methylphenyl)methylthio]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 7202446
6-methyl-3-((2-methylbenzyl)thio)-1,2,4-triazin-5(4H)-one
CID 135403329

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one (CID 7196691) is 4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one is Cc1cccc(CSc2nnc(C)c(=O)n2N)c1.
What is the InChIKey of 4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The InChIKey is YTNNEIWCEDCYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8-4-3-5-10(6-8)7-18-12-15-14-9(2)11(17)16(12)13/h3-6H,7,13H2,1-2H3.
What are the key properties of 4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one?
4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one has a molecular weight of 262.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazin-5-one is sourced from PubChem (CID 7196691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).