2-(2-(1-Methyl-3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl)ethyl)isoindoline-1,3-dione
Basic information
- Standard SMILES
Cn1nc(-c2ccncc2)nc1CCN1C(=O)c2ccccc2C1=O- InChIKey
XNSNHOJGBRERNY-UHFFFAOYSA-N- Molecular formula
- C18H15N5O2
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.12257474
Names & identifiers
- Preferred name
- 2-(2-(1-Methyl-3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl)ethyl)isoindoline-1,3-dione
- IUPAC
- 2-[2-(2-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)ethyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL14736725XNSNHOJGBRERNY-UHFFFAOYSA-N2-(2-(1-Methyl-3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl)ethyl)isoindoline-1,3-dione
Database identifiers
- PubChem CID
- 71279271
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
2 records
Compound notes
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