2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

C12H12FN5O2S — CID 7196644

IUPAC2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccccc2F)n(N)c1=O
InChIInChI=1S/C12H12FN5O2S/c1-7-11(20)18(14)12(17-16-7)21-6-10(19)15-9-5-3-2-4-8(9)13/h2-5H,6,14H2,1H3,(H,15,19)
InChIKeySSTNLNDJINSDPZ-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.53
Rot. Bonds4

About 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (PubChem CID 7196644) has the molecular formula C12H12FN5O2S and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
PubChem CID7196644
Molecular FormulaC12H12FN5O2S
Molecular Weight309.33 g/mol
Exact Mass309.07
IUPAC Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccccc2F)n(N)c1=O
InChIInChI=1S/C12H12FN5O2S/c1-7-11(20)18(14)12(17-16-7)21-6-10(19)15-9-5-3-2-4-8(9)13/h2-5H,6,14H2,1H3,(H,15,19)
InChIKeySSTNLNDJINSDPZ-UHFFFAOYSA-N
XLogP0.53
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide 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 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide (CID 7196644) is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is Cc1nnc(SCC(=O)Nc2ccccc2F)n(N)c1=O.
What is the InChIKey of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
The InChIKey is SSTNLNDJINSDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O2S/c1-7-11(20)18(14)12(17-16-7)21-6-10(19)15-9-5-3-2-4-8(9)13/h2-5H,6,14H2,1H3,(H,15,19).
What are the key properties of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide?
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 7196644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).