Basic information
- CAS
78827-50-6- Standard SMILES
CC(C)(C)/C=C/N1CCN=N1- InChIKey
HNYRTMGRRWLFER-GQCTYLIASA-N- Molecular formula
- C8H15N3
- Average molar mass
- 153.22 g/mol
- Monoisotopic mass
- 153.12659749
Names & identifiers
- Preferred name
- 1-[(E)-3,3-dimethylbut-1-enyl]-4,5-dihydrotriazole
- IUPAC
- 1-[(E)-3,3-dimethylbut-1-enyl]-4,5-dihydrotriazole
Names & synonyms
NSC33971878827-50-6DTXSID30421921NSC-3397181-[(1E)-3,3-Dimethylbut-1-en-1-yl]-4,5-dihydro-1H-1,2,3-triazole
Database identifiers
- CAS
78827-50-6- PubChem CID
- 6089765
- DTXSID
DTXSID30421921
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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