7-Benzyl-3-methyl-N5-beta-D-ribofuranosylpyrazolo(4,3-d)-1,2,3-triazin-4-one
Basic information
- CAS
138787-11-8- Standard SMILES
Cn1nnc2c(Cc3ccccc3)nn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c1=O- InChIKey
XLXXZPHDNZLJBW-BNGXUDDSSA-N- Molecular formula
- C17H19N5O5
- Average molar mass
- 373.4 g/mol
- Monoisotopic mass
- 373.13861872
Names & identifiers
- Preferred name
- 7-Benzyl-3-methyl-N5-beta-D-ribofuranosylpyrazolo(4,3-d)-1,2,3-triazin-4-one
- IUPAC
- 7-benzyl-5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrazolo[4,5-d]triazin-4-one
Names & synonyms
138787-11-87-Benzyl-3-methyl-N5-beta-D-ribofuranosylpyrazolo(4,3-d)-1,2,3-triazin-4-oneDTXSID301607877-Benzyl-3-methyl-N5-.beta.-D-ribofuranosylpyrazolo[4,3-d]-1,2,3-triazin-4-one7-Benzyl-3-methyl-5-beta-D-ribofuranosyl-3,5-dihydro-4H-pyrazolo[4,3-d][1,2,3]triazin-4-one7-benzyl-5-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrazolo[4,3-d]triazin-4-one
Database identifiers
- CAS
138787-11-8- PubChem CID
- 453765
- DTXSID
DTXSID30160787
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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