Basic information
- CAS
698378-58-4- Standard SMILES
CCOC(=O)C1=C(C(F)(F)F)Nc2ncnn2C1c1cc(OC)c(OC)cc1OC- InChIKey
ORJDSGHJPLMMAS-UHFFFAOYSA-N- Molecular formula
- C18H19F3N4O5
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.13075421
Names & identifiers
- Preferred name
- Ethyl 5-(trifluoromethyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 5-(trifluoromethyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Names & synonyms
ethyl 5-(trifluoromethyl)-7-(2,4,5-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylateSMR000207223MLS000584838CHEMBL1900434DTXSID001108386HMS2556I16AKOS001571906AKOS021627313698378-58-4EU-0098729UNM000000914601SR-01000103582
Show more names
SR-01000103582-1Ethyl 1,7-dihydro-5-(trifluoromethyl)-7-(2,4,5-trimethoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
698378-58-4- PubChem CID
- 4450141
- DTXSID
DTXSID001108386- ChEMBL
CHEMBL1900434
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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