Ethyl 7-hydroxy-5-methyl-2-(methylthio)(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylate
Basic information
- CAS
63123-21-7- Standard SMILES
CCOC(=O)c1c(C)nc2nc(SC)[nH]n2c1=O- InChIKey
QOBVERSXZLZHLD-UHFFFAOYSA-N- Molecular formula
- C10H12N4O3S
- Average molar mass
- 268.29 g/mol
- Monoisotopic mass
- 268.06301143
Names & identifiers
- Preferred name
- Ethyl 7-hydroxy-5-methyl-2-(methylthio)(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-methyl-2-methylsulfanyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
- English name
- ethyl 7-hydroxy-5-methyl-2(methylthio)-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
- Molecular formula
- C10H12N4O3S
- Molecular weight
- 268.29
Names & synonyms
63123-21-7QT5GI4Q9PEEINECS 263-870-2[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)-, ethyl esterDTXSID5069677(1,2,4)Triazolo(1,5-a)pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)-, ethyl esterEthyl 7-hydroxy-5-methyl-2(methylthio)-1,2,4-triazolo(1,5-a)pyrimidine-6-carboxylateEthyl 7-hydroxy-5-methyl-2(methylthio)-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylateEthyl 7-hydroxy-5-methyl-2-(methylthio)(1,2,4)triazolo(1,5-a)pyrimidine-6-carboxylateEthyl 7-hydroxy-5-methyl-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylateRefChem:596023DTXCID3043655
Show more names
7-Hydroxy-5-methyl-2-(methylthio)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
263-870-2Ethyl 5-methyl-2-(methylthio)-7-oxo-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylateethyl 7-hydroxy-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylateUNII-QT5GI4Q9PELNGKJTVVGYFYMY-UHFFFAOYSA-NDB-297585
Database identifiers
- CAS
63123-21-7- PubChem CID
- 113015
- DTXSID
DTXSID5069677- UNII
- QT5GI4Q9PE
- EC Number
- 263-870-2
- Nikkaji
- J307.200B
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 509
Physicochemical properties
- FDA UNII
- 5 GI4Q9PE · QT5GI4Q9PE
- EPA Substance Registry System
- 1 · [1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-hydroxy-5-methyl-2-(methylthio)-, ethyl ester (63123-21-7)
- 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.
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)-, ethyl ester: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…