2-((4-Amino-4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
Basic information
- CAS
381716-93-4- Standard SMILES
Cc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)c(C)c1- InChIKey
XOIVWBIVVFVQEU-UHFFFAOYSA-N- Molecular formula
- C14H17N5O2S
- Average molar mass
- 319.38 g/mol
- Monoisotopic mass
- 319.11029598
Names & identifiers
- Preferred name
- 2-((4-Amino-4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
- IUPAC
- 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
Names & synonyms
381716-93-42-[(4-Amino-4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]-N-(2,4-dimethylphenyl)acetamide2-((4-Amino-4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio)-N-(2,4-dimethylphenyl)acetamideRefChem:2493562-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamideZINC00392213MLS000588382CHEMBL1321942DTXSID601117206HMS2509M14STK972367
Show more names
AKOS0022383232-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamideSMR000212228ST50113296AB00552281-02F1847-00262-(4-amino-6-methyl-5-oxo(1,2,4-triazin-3-ylthio))-N-(2,4-dimethylphenyl)aceta mide2-(4-Amino-6-methyl-5-oxo-4,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-N-(2,4-dimethyl-phenyl)-acetamide
Database identifiers
- CAS
381716-93-4- PubChem CID
- 853533
- DTXSID
DTXSID601117206- ChEMBL
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 519
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Compound notes
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