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

C10H9FN4OS — CID 1194683

IUPAC4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
SMILESNn1c(SCc2ccccc2F)nncc1=O
InChIInChI=1S/C10H9FN4OS/c11-8-4-2-1-3-7(8)6-17-10-14-13-5-9(16)15(10)12/h1-5H,6,12H2
InChIKeyBNIVSLYJWHYQQA-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.78
Rot. Bonds3

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

4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one (PubChem CID 1194683) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
PubChem CID1194683
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
SMILESNn1c(SCc2ccccc2F)nncc1=O
InChIInChI=1S/C10H9FN4OS/c11-8-4-2-1-3-7(8)6-17-10-14-13-5-9(16)15(10)12/h1-5H,6,12H2
InChIKeyBNIVSLYJWHYQQA-UHFFFAOYSA-N
XLogP0.78
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-3-[(2-fluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one (CID 1194683) is 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one is Nn1c(SCc2ccccc2F)nncc1=O.
What is the InChIKey of 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The InChIKey is BNIVSLYJWHYQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c11-8-4-2-1-3-7(8)6-17-10-14-13-5-9(16)15(10)12/h1-5H,6,12H2.
What are the key properties of 4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
4-amino-3-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one has a molecular weight of 252.27 g/mol, XLogP of 0.78, 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]-1,2,4-triazin-5-one is sourced from PubChem (CID 1194683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).