Basic information
- CAS
1780-74-1- Standard SMILES
CCNc1nc(C(F)(F)F)nc2[nH]ncc12- InChIKey
HDZNWDXAWOPGQS-UHFFFAOYSA-N- Molecular formula
- C8H8F3N5
- Average molar mass
- 231.18 g/mol
- Monoisotopic mass
- 231.07317976
Names & identifiers
- Preferred name
- N-ethyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
- IUPAC
- N-ethyl-6-(trifluoromethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
Names & synonyms
1780-74-1NSC67094DTXSID20939020NSC-67094N-Ethyl-6-(trifluoromethyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-imine
Database identifiers
- CAS
1780-74-1- PubChem CID
- 249121
- DTXSID
DTXSID20939020
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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