Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1CNc1nc(N)n2nc(-c3ccco3)nc2n1- InChIKey
BNGKAJIJTKTHPF-UHFFFAOYSA-N- Molecular formula
- C18H24N8O3
- Average molar mass
- 400.4 g/mol
Names & identifiers
- Preferred name
- 2-[(7-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL5415881BNGKAJIJTKTHPF-UHFFFAOYSA-N2-[(7-amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-ylamino)-methyl]-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69433362
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 588
Related reactions
3 records
Compound notes
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