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

C10H8ClFN4OS — CID 7196838

IUPAC4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
SMILESNn1c(SCc2c(F)cccc2Cl)nncc1=O
InChIInChI=1S/C10H8ClFN4OS/c11-7-2-1-3-8(12)6(7)5-18-10-15-14-4-9(17)16(10)13/h1-4H,5,13H2
InChIKeyVSNYGVMWHWVTNJ-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.44
Rot. Bonds3

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

4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one (PubChem CID 7196838) has the molecular formula C10H8ClFN4OS and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
PubChem CID7196838
Molecular FormulaC10H8ClFN4OS
Molecular Weight286.72 g/mol
Exact Mass286.01
IUPAC Name4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
SMILESNn1c(SCc2c(F)cccc2Cl)nncc1=O
InChIInChI=1S/C10H8ClFN4OS/c11-7-2-1-3-8(12)6(7)5-18-10-15-14-4-9(17)16(10)13/h1-4H,5,13H2
InChIKeyVSNYGVMWHWVTNJ-UHFFFAOYSA-N
XLogP1.44
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-3-[(2-chloro-6-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-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one (CID 7196838) is 4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one is Nn1c(SCc2c(F)cccc2Cl)nncc1=O.
What is the InChIKey of 4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
The InChIKey is VSNYGVMWHWVTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4OS/c11-7-2-1-3-8(12)6(7)5-18-10-15-14-4-9(17)16(10)13/h1-4H,5,13H2.
What are the key properties of 4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one?
4-amino-3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one has a molecular weight of 286.72 g/mol, XLogP of 1.44, 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-chloro-6-fluorophenyl)methylsulfanyl]-1,2,4-triazin-5-one is sourced from PubChem (CID 7196838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).