5-Cyanoamino-indazole-1-carboxylic acid tert-butyl ester
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Basic information
- CAS
887594-17-4- Standard SMILES
CC(C)(C)OC(=O)n1ncc2cc(NC#N)ccc21- InChIKey
URIIETGOPOVJJM-UHFFFAOYSA-N- Molecular formula
- C13H14N4O2
- Average molar mass
- 258.28 g/mol
- Monoisotopic mass
- 258.1116757
Names & identifiers
- Preferred name
- 5-Cyanoamino-indazole-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-(cyanoamino)indazole-1-carboxylate
- English name
- 5-CYANOAMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Molecular formula
- C13H14N4O2
- Molecular weight
- 258.28
Names & synonyms
887594-17-4tert-Butyl 5-cyanamido-1H-indazole-1-carboxylatetert-Butyl 5-(cyanoamino)-1H-indazole-1-carboxylate5-CYANOAMINO-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTERDTXSID90697428DB-078209
Database identifiers
- CAS
887594-17-4- PubChem CID
- 53418484
- DTXSID
DTXSID90697428
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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