2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide

C12H11N5OS — CID 47131260

IUPAC2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)Cn2cnnc2C#N)cc1
InChIInChI=1S/C12H11N5OS/c1-19-10-4-2-9(3-5-10)15-12(18)7-17-8-14-16-11(17)6-13/h2-5,8H,7H2,1H3,(H,15,18)
InChIKeyVFIDEDNWMWYCPX-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.51
Rot. Bonds4

About 2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide

2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 47131260) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide
PubChem CID47131260
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)Cn2cnnc2C#N)cc1
InChIInChI=1S/C12H11N5OS/c1-19-10-4-2-9(3-5-10)15-12(18)7-17-8-14-16-11(17)6-13/h2-5,8H,7H2,1H3,(H,15,18)
InChIKeyVFIDEDNWMWYCPX-UHFFFAOYSA-N
XLogP1.51
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 51288268
2-(3-cyano-1,2,4-triazol-4-yl)-N-dibenzofuran-2-ylacetamide
CID 17416741
N-(3-chloro-2-methylphenyl)-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 47120491
methyl 2-(3-cyano-1,2,4-triazol-4-yl)acetate
CID 131154678
2-(3-cyano-1,2,4-triazol-4-yl)-N-(2,5-dichlorophenyl)acetamide
CID 47120496
2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 62102213
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
2-(3-cyano-1,2,4-triazol-4-yl)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 51317373
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121063779
3-(4-methylsulfanylanilino)-3-oxopropanoic acid
CID 62230727
N'-(4-methylsulfanylphenyl)butanediamide
CID 142651980
N-(4-methylsulfanylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052732

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide (CID 47131260) is 2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)Cn2cnnc2C#N)cc1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is VFIDEDNWMWYCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-19-10-4-2-9(3-5-10)15-12(18)7-17-8-14-16-11(17)6-13/h2-5,8H,7H2,1H3,(H,15,18).
What are the key properties of 2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide?
2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 273.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-4-yl)-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 47131260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).