1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-e]pyrazole-7-carbonitrile
Basic information
- CAS
91296-23-0- Standard SMILES
N#Cc1cnn2ccn(C3OC(CO)C(O)C3O)c12- InChIKey
JCZLDSSPTGHSFZ-UHFFFAOYSA-N- Molecular formula
- C11H12N4O4
- Average molar mass
- 264.24 g/mol
- Monoisotopic mass
- 264.08585488
Names & identifiers
- Preferred name
- 1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-e]pyrazole-7-carbonitrile
- IUPAC
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[2,1-e]pyrazole-7-carbonitrile
Names & synonyms
MLS00075693091296-23-0NSC370383NSC-370383CHEMBL1398947DTXSID00321106HMS2884G14SMR0005289961-Pentofuranosyl-1H-imidazo[1,2-b]pyrazole-7-carbonitrile
Database identifiers
- CAS
91296-23-0- PubChem CID
- 340229
- DTXSID
DTXSID00321106- ChEMBL
CHEMBL1398947
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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