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

C10H9FN4OS — CID 15586997

IUPAC2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nc(=O)c(-c2ccc(F)cc2)nn1N
InChIInChI=1S/C10H9FN4OS/c1-17-10-13-9(16)8(14-15(10)12)6-2-4-7(11)5-3-6/h2-5H,12H2,1H3
InChIKeyUSZWATJSYKYRFT-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.88
Rot. Bonds2

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

2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one (PubChem CID 15586997) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one
PubChem CID15586997
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one
SMILESCSc1nc(=O)c(-c2ccc(F)cc2)nn1N
InChIInChI=1S/C10H9FN4OS/c1-17-10-13-9(16)8(14-15(10)12)6-2-4-7(11)5-3-6/h2-5H,12H2,1H3
InChIKeyUSZWATJSYKYRFT-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one?
The IUPAC name of 2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one (CID 15586997) is 2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one.
What is the SMILES notation for 2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one?
The canonical SMILES for 2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one is CSc1nc(=O)c(-c2ccc(F)cc2)nn1N.
What is the InChIKey of 2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one?
The InChIKey is USZWATJSYKYRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c1-17-10-13-9(16)8(14-15(10)12)6-2-4-7(11)5-3-6/h2-5H,12H2,1H3.
What are the key properties of 2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one?
2-amino-6-(4-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 2-amino-6-(4-fluorophenyl)-3-methylsulfanyl-1,2,4-triazin-5-one is sourced from PubChem (CID 15586997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).