2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
Basic information
- CAS
869068-61-1- Standard SMILES
Cc1cc(NC(=O)CSc2nncc(=O)n2N)no1- InChIKey
OWRVJDUYJACHDT-UHFFFAOYSA-N- Molecular formula
- C9H10N6O3S
- Average molar mass
- 282.28 g/mol
- Monoisotopic mass
- 282.05350938
Names & identifiers
- Preferred name
- 2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
- IUPAC
- 2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Names & synonyms
869068-61-12-[(4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide2-((4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide2-[(4-amino-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamideF1847-0196MLS000624367CHEMBL1594469DTXSID901321963HMS2725J09SMSSF-0043592AKOS024614447SMR000323684
Show more names
SR-01000016996SR-01000016996-1N-(5-methyl-3-isoxazolyl)(4-amino-5-oxo-4,5-dihydro-1,2,4-triazin-3-ylthio)acetamide
Database identifiers
- CAS
869068-61-1- PubChem CID
- 7196833
- DTXSID
DTXSID901321963- ChEMBL
CHEMBL1594469
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 440
Experimental & physicochemical properties
Solubility39 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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