Basic information
- CAS
52476-86-5- Standard SMILES
Cc1cc(C)n(-c2nn3nnnc3c3ccccc23)n1- InChIKey
JPRXZDMNDANXQQ-UHFFFAOYSA-N- Molecular formula
- C13H11N7
- Average molar mass
- 265.27 g/mol
- Monoisotopic mass
- 265.10759338
Names & identifiers
- Preferred name
- 6-(3,5-Dimethylpyrazol-1-yl)tetrazolo[5,1-a]phthalazine
- IUPAC
- 6-(3,5-dimethylpyrazol-1-yl)tetrazolo[5,1-a]phthalazine
Names & synonyms
52476-86-5NSC2281706-(3,5-dimethylpyrazol-1-yl)tetrazolo[5,1-a]phthalazineDTXSID20310577NSC-2281706-(3,5-Dimethyl-1H-pyrazol-1-yl)tetrazolo[5,1-a]phthalazine
Database identifiers
- CAS
52476-86-5- PubChem CID
- 313632
- DTXSID
DTXSID20310577
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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