Basic information
- CAS
52494-51-6- Standard SMILES
Cc1cc(C)n(-c2nn3cnnc3c3ccccc23)n1- InChIKey
KUOLUQGCGQTDJB-UHFFFAOYSA-N- Molecular formula
- C14H12N6
- Average molar mass
- 264.29 g/mol
- Monoisotopic mass
- 264.11234441
Names & identifiers
- Preferred name
- 6-(3,5-Dimethylpyrazol-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine
- IUPAC
- 6-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[3,4-a]phthalazine
Names & synonyms
52494-51-6NSC2704046-(3,5-dimethylpyrazol-1-yl)-[1,2,4]triazolo[3,4-a]phthalazineDTXSID10313456NSC-2704046-(3,5-Dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[3,4-a]phthalazine
Database identifiers
- CAS
52494-51-6- PubChem CID
- 321072
- DTXSID
DTXSID10313456
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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