Basic information
- Standard SMILES
CC(C)(C)C(=O)C(n1cncn1)n1cncn1- InChIKey
IEFKPSVCWPNSBF-UHFFFAOYSA-N- Molecular formula
- C10H14N6O
- Average molar mass
- 234.26 g/mol
- Monoisotopic mass
- 234.12290909
Names & identifiers
- Preferred name
- 1,1-Bis-(1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one
- IUPAC
- 3,3-dimethyl-1,1-bis(1,2,4-triazol-1-yl)butan-2-one
Names & synonyms
SCHEMBL11154515IEFKPSVCWPNSBF-UHFFFAOYSA-N1,1-bis-(1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one
Database identifiers
- PubChem CID
- 13706397
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Related reactions
1 records
Compound notes
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