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

C11H11FN4OS — CID 7196701

IUPAC4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
SMILESCc1nnc(SCc2ccccc2F)n(N)c1=O
InChIInChI=1S/C11H11FN4OS/c1-7-10(17)16(13)11(15-14-7)18-6-8-4-2-3-5-9(8)12/h2-5H,6,13H2,1H3
InChIKeyYZKKLOIXWAOUTR-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.09
Rot. Bonds3

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

4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one (PubChem CID 7196701) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
PubChem CID7196701
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC Name4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one
SMILESCc1nnc(SCc2ccccc2F)n(N)c1=O
InChIInChI=1S/C11H11FN4OS/c1-7-10(17)16(13)11(15-14-7)18-6-8-4-2-3-5-9(8)12/h2-5H,6,13H2,1H3
InChIKeyYZKKLOIXWAOUTR-UHFFFAOYSA-N
XLogP1.09
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.09
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
7-(3-fluorophenyl)-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 8071654
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-[(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-Methyl-7-[(4-methylphenyl)methylsulfanyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 7197243

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one (CID 7196701) is 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one is Cc1nnc(SCc2ccccc2F)n(N)c1=O.
What is the InChIKey of 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one?
The InChIKey is YZKKLOIXWAOUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c1-7-10(17)16(13)11(15-14-7)18-6-8-4-2-3-5-9(8)12/h2-5H,6,13H2,1H3.
What are the key properties of 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one?
4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one has a molecular weight of 266.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-one is sourced from PubChem (CID 7196701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).