Basic information
- CAS
171668-01-2- Standard SMILES
O=C1CCC(=O)N1c1nc2n(n1)C(c1ccccc1)C=C(c1ccccc1)N2- InChIKey
DSNUKTQGSQVKBT-UHFFFAOYSA-N- Molecular formula
- C21H17N5O2
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.1382248
Names & identifiers
- Preferred name
- 2,5-Pyrrolidinedione, 1-(5,7-diphenyl-4,7-dihydro-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)-
- IUPAC
- 1-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione
- English name
- 1-(2,4-diphenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-8-yl)pyr rolidine-2,5-dione
- Molecular formula
- C21H17N5O2
- Molecular weight
- 371.39
Names & synonyms
171668-01-2N-(5,7-Diphenyl-4,7-dihydro-1,2,4-triazolo(1,5-a)pyrimidin-2-yl)succinimide1-(5,7-Diphenyl-4,7-dihydro-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)-2,5-pyrrolidinedione2,5-Pyrrolidinedione, 1-(5,7-diphenyl-4,7-dihydro-(1,2,4)triazolo(1,5-a)pyrimidin-2-yl)-RefChem:2477921-(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione1-(5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dioneChemDiv1_008877Oprea1_6032631-(2,4-DIPHENYL-1,5,7,9-TETRAZABICYCLO[4.3.0]NONA-3,5,7-TRIEN-8-YL)PYR ROLIDINE-2,5-DIONEHMS612D11DTXSID00938016
Show more names
2,5-Pyrrolidinedione, 1-(1,7-dihydro-5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-
CCG-19507STK846603AKOS000641551AKOS005627075AKOS021998782SR-01000480477SR-01000480477-11-(5,7-Diphenyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyrrolidine-2,5-dione
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- Boiling point
- 625.2 · 625.2±65.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 0.55 · 0.55±0.60(Predicted)
Chemistry & industry
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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