4-Oxo-3-phenethyl-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Basic information
- Standard SMILES
NC(=O)c1ncn2c(=O)n(CCc3ccccc3)nnc12- InChIKey
BLEKIKRYCANQEF-UHFFFAOYSA-N- Molecular formula
- C13H12N6O2
- Average molar mass
- 284.27 g/mol
Names & identifiers
- Preferred name
- 4-Oxo-3-phenethyl-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
- IUPAC
- 4-oxo-3-(2-phenylethyl)imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Names & synonyms
SCHEMBL2886687CHEMBL4289178BLEKIKRYCANQEF-UHFFFAOYSA-N4-oxo-3-phenethyl-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
Database identifiers
- PubChem CID
- 44128554
- ChEMBL
CHEMBL4289178
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 448
Related reactions
1 records
Compound notes
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