2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide

C10H12N6OS — CID 899467

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nn2cnnc2)n1
InChIInChI=1S/C10H12N6OS/c1-7-3-8(2)14-10(13-7)18-4-9(17)15-16-5-11-12-6-16/h3,5-6H,4H2,1-2H3,(H,15,17)
InChIKeyXICMUUXCDJDZLA-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.55
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 899467) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID899467
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide
SMILESCc1cc(C)nc(SCC(=O)Nn2cnnc2)n1
InChIInChI=1S/C10H12N6OS/c1-7-3-8(2)14-10(13-7)18-4-9(17)15-16-5-11-12-6-16/h3,5-6H,4H2,1-2H3,(H,15,17)
InChIKeyXICMUUXCDJDZLA-UHFFFAOYSA-N
XLogP0.55
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)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-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide (CID 899467) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide is Cc1cc(C)nc(SCC(=O)Nn2cnnc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is XICMUUXCDJDZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-7-3-8(2)14-10(13-7)18-4-9(17)15-16-5-11-12-6-16/h3,5-6H,4H2,1-2H3,(H,15,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 264.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 899467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).