6-tert-Butyl-4-oxo-1,2,4lambda~5~-triazine
Basic information
- CAS
66522-19-8- Standard SMILES
CC(C)(C)c1c[n+]([O-])cnn1- InChIKey
ZEUSBVOCRZODME-UHFFFAOYSA-N- Molecular formula
- C7H11N3O
- Average molar mass
- 153.18 g/mol
- Monoisotopic mass
- 153.09021198
Names & identifiers
- Preferred name
- 6-tert-Butyl-4-oxo-1,2,4lambda~5~-triazine
- IUPAC
- 6-tert-butyl-4-oxido-1,2,4-triazin-4-ium
Names & synonyms
66522-19-86-tert-Butyl-4-oxo-1,2,4lambda~5~-triazineDTXSID20498809RefChem:309412DTXCID20449619CHEMBL3251604
Database identifiers
- CAS
66522-19-8- PubChem CID
- 12450643
- DTXSID
DTXSID20498809- ChEMBL
CHEMBL3251604
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
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Compound notes
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