(1Z)-1-(2-methylpyrazolo[2,1-a]triazol-4-ium-3-ylidene)ethanolate
Basic information
- CAS
59046-09-2- Standard SMILES
C/C([O-])=c1\c(C)nn2ccc[n+]12- InChIKey
HYZDZPQVZBSXSV-UHFFFAOYSA-N- Molecular formula
- C8H9N3O
- Average molar mass
- 163.18 g/mol
- Monoisotopic mass
- 163.07456192
Names & identifiers
- Preferred name
- (1Z)-1-(2-methylpyrazolo[2,1-a]triazol-4-ium-3-ylidene)ethanolate
- IUPAC
- (1Z)-1-(2-methylpyrazolo[2,1-a]triazol-4-ium-3-ylidene)ethanolate
Names & synonyms
NSC341598NSC-341598
Database identifiers
- CAS
59046-09-2- PubChem CID
- 24199765
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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