Ethyl 7-(3,4-dichlorophenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Basic information
- CAS
5518-63-8- Standard SMILES
CCCC1=C(C(=O)OCC)C(c2ccc(Cl)c(Cl)c2)n2ncnc2N1- InChIKey
ZFEKZRPIZKTSPZ-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N4O2
- Average molar mass
- 381.3 g/mol
- Monoisotopic mass
- 380.0806812
Names & identifiers
- Preferred name
- Ethyl 7-(3,4-dichlorophenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl 7-(3,4-dichlorophenyl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Names & synonyms
5518-63-8ethyl 7-(3,4-dichlorophenyl)-5-propyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylateDTXSID60421954AKOS002814551Ethyl 7-(3,4-dichlorophenyl)-5-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Database identifiers
- CAS
5518-63-8- PubChem CID
- 5207364
- DTXSID
DTXSID60421954
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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