Methyl 2-[[(4-ethoxyphenyl)methyl]amino]-1,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine-6-acetate
Basic information
- CAS
876716-36-8- Standard SMILES
CCOc1ccc(CNc2nc3nc(C)c(CC(=O)OC)c(=O)n3[nH]2)cc1- InChIKey
VXKJLEQETCVSDA-UHFFFAOYSA-N- Molecular formula
- C18H21N5O4
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.15935417
Names & identifiers
- Preferred name
- Methyl 2-[[(4-ethoxyphenyl)methyl]amino]-1,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine-6-acetate
- IUPAC
- methyl 2-[2-[(4-ethoxyphenyl)methylamino]-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Names & synonyms
DTXSID501108755AKOS000641966876716-36-8Methyl 2-[[(4-ethoxyphenyl)methyl]amino]-1,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidine-6-acetateST50373159SR-01000139223SR-01000139223-1methyl (2-{[(4-ethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetateMETHYL 2-(2-{[(4-ETHOXYPHENYL)METHYL]AMINO}-5-METHYL-7-OXO-4H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-6-YL)ACETATE
Database identifiers
- CAS
876716-36-8- PubChem CID
- 4017252
- DTXSID
DTXSID501108755
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 692
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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