Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)cn2nc(-c3ccco3)nc12- InChIKey
VJPHQXHKCHIVPY-UHFFFAOYSA-N- Molecular formula
- C23H31N7O5
- Average molar mass
- 485.5 g/mol
- Monoisotopic mass
- 485.23866711
Names & identifiers
- Preferred name
- 4-(8-Tert-butoxycarbonylamino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-(furan-2-yl)-8-[(2-methylpropan-2-yl)oxycarbonylamino]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL3191839VJPHQXHKCHIVPY-UHFFFAOYSA-N4-(8-tert-butoxycarbonylamino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68544150
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 762
Related reactions
1 records
Compound notes
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