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

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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).