Basic information
- CAS
63059-40-5- Standard SMILES
CSc1nc2nc(C)c(C(=O)O)c(=O)n2[nH]1- InChIKey
NVMOOSHNKGHQEA-UHFFFAOYSA-N- Molecular formula
- C8H8N4O3S
- Average molar mass
- 240.24 g/mol
- Monoisotopic mass
- 240.0317113
Names & identifiers
- Preferred name
- 7-Hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo(1,5-a)pyrimidine-6-carboxylic acid
- IUPAC
- 5-methyl-2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
- English name
- 7-hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylic acid
- Molecular formula
- C8H8N4O3S
- Molecular weight
- 240.24
Names & synonyms
63059-40-5[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)-EINECS 263-817-37-Hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylic acidDTXSID60886524(1,2,4)Triazolo(1,5-a)pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)-7-Hydroxy-5-methyl-2-(methylthio)-1,2,4-triazolo(1,5-a)pyrimidine-6-carboxylic acidRefChem:546575DTXCID701025848263-817-37-Hydroxy-5-methyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid7-hydroxy-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
Show more names
[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methy2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid,7-hydroxy-5-methyl-2-(methylthio)-[2,4-Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)-15-methyl-2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SCHEMBL2313225VGBJZRYZAVXOPN-UHFFFAOYSA-NDB-296774NS00055966
Database identifiers
- CAS
63059-40-5- PubChem CID
- 112997
- DTXSID
DTXSID60886524- EC Number
- 263-817-3
- Nikkaji
- J307.172C
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- EPA Substance Registry System
- 1 · [1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)- (63059-40-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: [1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)-
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)-: ACTIVE
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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