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

C10H9FN4OS — CID 13458086

IUPAC4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nnc(-c2ccccc2F)c(=O)n1N
InChIInChI=1S/C10H9FN4OS/c1-17-10-14-13-8(9(16)15(10)12)6-4-2-3-5-7(6)11/h2-5H,12H2,1H3
InChIKeyMFZZMEQEFFSAKC-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.88
Rot. Bonds2

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

4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one (PubChem CID 13458086) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one
PubChem CID13458086
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nnc(-c2ccccc2F)c(=O)n1N
InChIInChI=1S/C10H9FN4OS/c1-17-10-14-13-8(9(16)15(10)12)6-4-2-3-5-7(6)11/h2-5H,12H2,1H3
InChIKeyMFZZMEQEFFSAKC-UHFFFAOYSA-N
XLogP0.88
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-6-(2-fluorophenyl)-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
3-(Methylsulfanyl)-6-phenyl-1,2,4-triazin-5(2H)-one
CID 135450607
3-benzyl-7-(methylthio)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 2825642
6-Benzyl-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135479640
4-Methyl-3-(methylsulfanyl)-6-phenyl-1,2,4-triazin-5(4H)-one
CID 560485
7-Methylsulfanyl-3-phenyl-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 45106417
7-(3-fluorophenyl)-3-phenyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 8035455
Bay-79758
CID 12295785
4-Amino-3-methyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
CID 13078493
4-Amino-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]-1,2,4-triazin-5-one
CID 13458087
2-Amino-3-methylthio-6-(p-fluorophenyl)-5-oxo-2,5-dihydro-1,2,4-triazine
CID 15586997
6-(2-Fluorophenyl)-3,4-bis(methylamino)-1,2,4-triazin-5-one
CID 21277252

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one (CID 13458086) is 4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one is CSc1nnc(-c2ccccc2F)c(=O)n1N.
What is the InChIKey of 4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one?
The InChIKey is MFZZMEQEFFSAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c1-17-10-14-13-8(9(16)15(10)12)6-4-2-3-5-7(6)11/h2-5H,12H2,1H3.
What are the key properties of 4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one?
4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one has a molecular weight of 252.27 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(2-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 13458086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).