1-Benzyl-8-hydrazinyl-3,7-dimethylpurine-2,6-dione
Basic information
- CAS
303969-86-0- Standard SMILES
Cn1c(NN)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C- InChIKey
NSULCCIVCRKHIZ-UHFFFAOYSA-N- Molecular formula
- C14H16N6O2
- Average molar mass
- 300.32 g/mol
- Monoisotopic mass
- 300.13347377
Names & identifiers
- Preferred name
- 1-Benzyl-8-hydrazinyl-3,7-dimethylpurine-2,6-dione
- IUPAC
- 1-benzyl-8-hydrazinyl-3,7-dimethylpurine-2,6-dione
Names & synonyms
1-benzyl-8-hydrazinyl-3,7-dimethylpurine-2,6-dioneMLS001194537SMR0005550651-benzyl-8-hydrazinyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione1-Benzyl-8-hydrazino-3,7-dimethyl-3,7-dihydro-purine-2,6-dioneOprea1_673389Oprea1_773548303969-86-0cid_6777441-benzyl-8-hydrazinotheobromineCHEMBL1314400BDBM82956
Show more names
DTXSID501331831HMS2868H10STK086928AKOS0005784371-benzyl-8-hydrazino-3,7-dimethyl-xanthineSR-01000080338SR-01000080338-18-diazanyl-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione
Database identifiers
- CAS
303969-86-0- PubChem CID
- 677744
- DTXSID
DTXSID501331831- ChEMBL
CHEMBL1314400
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
Solubility22 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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