Basic information
- CAS
52494-49-2- Standard SMILES
Cc1cc(C)n(-c2nnc(-n3nc(C)cc3C)c3ccccc23)n1- InChIKey
VUMXZAJZOBWCAY-UHFFFAOYSA-N- Molecular formula
- C18H18N6
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.1592946
Names & identifiers
- Preferred name
- 1,4-Bis(3,5-dimethyl-1H-pyrazol-1-yl)phthalazine
- IUPAC
- 1,4-bis(3,5-dimethylpyrazol-1-yl)phthalazine
Names & synonyms
52494-49-2NSC2703971,4-Bis(3,5-dimethyl-1H-pyrazol-1-yl)phthalazineDTXSID30313453NSC-270397
Database identifiers
- CAS
52494-49-2- PubChem CID
- 321065
- DTXSID
DTXSID30313453
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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