[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-hydroxy-5-methyl-, methyl ester
Basic information
- CAS
63665-74-7- Standard SMILES
COC(=O)c1nc2nc(C)cc(=O)n2[nH]1- InChIKey
QBIFTLPEPZNVMA-UHFFFAOYSA-N- Molecular formula
- C8H8N4O3
- Average molar mass
- 208.17 g/mol
- Monoisotopic mass
- 208.05964013
Names & identifiers
- Preferred name
- [1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-hydroxy-5-methyl-, methyl ester
- IUPAC
- methyl 5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
- English name
- methyl 7-hydroxy-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylate
- Molecular formula
- C8H8N4O3
- Molecular weight
- 208.17
Names & synonyms
[1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-hydroxy-5-methyl-, methyl esterEINECS 264-392-7DTXSID9069972(1,2,4)Triazolo(1,5-a)pyrimidine-2-carboxylic acid, 7-hydroxy-5-methyl-, methyl esterRefChem:391245DTXCID904403563665-74-7methyl 5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylatemethyl 7-hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylateMethyl 7-hydroxy-5-methyl-1,2,4-triazolo[1,5-a]pyrimidine-2-carboxylateMethyl 7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylateMethyl 7-hydroxy-5-methyl-1,2,4-triazolo(1,5-a)pyrimidine-2-carboxylate
Show more names
7-Hydroxy-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester
ChemDiv1_009053Y9FPZ7Y74QOprea1_071402MLS000551363SCHEMBL9678829CHEMBL1353583CHEMBL6152049HMS612L11
Database identifiers
- CAS
63665-74-7- PubChem CID
- 113402
- DTXSID
DTXSID9069972- ChEMBL
CHEMBL1353583、CHEMBL6152049- UNII
- Y9FPZ7Y74Q
- EC Number
- 264-392-7
- Nikkaji
- J286.532G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 3.51 · 3.51±0.53(Predicted)
- EPA Substance Registry System
- 1 · [1,2,4]Triazolo[1,5-a]pyrimidine-2-carboxylic acid, 7-hydroxy-5-methyl-, methyl ester (63665-74-7)
- 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-2-carboxylic acid, 7-hydroxy-5-methyl-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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