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

C10H8FN3OS — CID 135604596

IUPAC6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one
SMILESCSc1nnc(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8FN3OS/c1-16-10-12-9(15)8(13-14-10)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,12,14,15)
InChIKeyQRNJEDAJSUWNBN-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.69
Rot. Bonds2

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

6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one (PubChem CID 135604596) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one
PubChem CID135604596
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC Name6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one
SMILESCSc1nnc(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C10H8FN3OS/c1-16-10-12-9(15)8(13-14-10)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,12,14,15)
InChIKeyQRNJEDAJSUWNBN-UHFFFAOYSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one (CID 135604596) is 6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one is CSc1nnc(-c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one?
The InChIKey is QRNJEDAJSUWNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c1-16-10-12-9(15)8(13-14-10)6-2-4-7(11)5-3-6/h2-5H,1H3,(H,12,14,15).
What are the key properties of 6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one?
6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one has a molecular weight of 237.26 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135604596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).