Basic information
- Standard SMILES
CC(C)(C)Cn1c(Cn2cnc([N+](=O)[O-])n2)cc2cnc(C#N)nc21- InChIKey
ZYMLDSPQZKWMIL-UHFFFAOYSA-N- Molecular formula
- C15H16N8O2
- Average molar mass
- 340.34 g/mol
Names & identifiers
- Preferred name
- 7-(2,2-dimethyl-propyl)-6-(3-nitro-[1,2,4]triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
- IUPAC
- 7-(2,2-dimethylpropyl)-6-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
Names & synonyms
SCHEMBL4141277ZYMLDSPQZKWMIL-UHFFFAOYSA-N7-(2,2-dimethyl-propyl)-6-(3-nitro-[1,2,4]triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
Database identifiers
- PubChem CID
- 10132029
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 550
Related reactions
2 records
Compound notes
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