2-(tert-butyl)-5H-pyrazolo[1,5-d]1,2,4-triazin-4-one
Basic information
- CAS
326914-98-1- Standard SMILES
CC(C)(C)c1cc2c(=O)[nH]ncn2n1- InChIKey
CHKIZFMWZAMPPT-UHFFFAOYSA-N- Molecular formula
- C9H12N4O
- Average molar mass
- 192.22 g/mol
- Monoisotopic mass
- 192.10111102
Names & identifiers
- Preferred name
- 2-(tert-butyl)-5H-pyrazolo[1,5-d]1,2,4-triazin-4-one
- IUPAC
- 2-tert-butyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
Names & synonyms
DTXSID8011840292-(1,1-Dimethylethyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-oneSBB079634326914-98-12-(tert-butyl)-5H-pyrazolo[1,5-d]1,2,4-triazin-4-one2-tert-butylpyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Database identifiers
- CAS
326914-98-1- PubChem CID
- 3486899
- DTXSID
DTXSID801184029
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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