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Basic information
- CAS
1014983-34-6- Standard SMILES
CCCC(CCC)c1cc(C)nc2c(-c3cnc(-c4ncnn4C)s3)c(C)nn12- InChIKey
JMNXZPFFMWPSJK-UHFFFAOYSA-N- Molecular formula
- C21H27N7S
- Average molar mass
- 409.6 g/mol
- Monoisotopic mass
- 409.20486486
Names & identifiers
- Preferred name
- 2,5-Dimethyl-3-[2-(2-methyl-2H-[1,2,4]triazol-3-yl)-thiazol-5-yl]-7-(1-propyl-butyl)-pyrazolo[1,5-a]pyrimidine
- IUPAC
- 5-(7-heptan-4-yl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
Names & synonyms
SCHEMBL2495097JMNXZPFFMWPSJK-UHFFFAOYSA-NDTXSID8011100561014983-34-62,5-Dimethyl-3-[2-(1-methyl-1H-1,2,4-triazol-5-yl)-5-thiazolyl]-7-(1-propylbutyl)pyrazolo[1,5-a]pyrimidine2,5-Dimethyl-3-[2-(2-methyl-2H-[1,2,4]triazol-3-yl)-thiazol-5-yl]-7-(1-propyl-butyl)-pyrazolo[1,5-a]pyrimidine
Database identifiers
- CAS
1014983-34-6- PubChem CID
- 67428648
- DTXSID
DTXSID801110056
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 531
Related reactions
4 records
Compound notes
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