2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione

C16H12N4O2 — CID 18477617

IUPAC2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione
SMILESC[C@H](c1nnc2ccccn12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N4O2/c1-10(14-18-17-13-8-4-5-9-19(13)14)20-15(21)11-6-2-3-7-12(11)16(20)22/h2-10H,1H3/t10-/m1/s1
InChIKeyWAGZHLJXGJWFGT-SNVBAGLBSA-N
MW292.30 g/mol
LogP2.09
Rot. Bonds2

About 2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione

2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione (PubChem CID 18477617) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione
PubChem CID18477617
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione
SMILESC[C@H](c1nnc2ccccn12)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H12N4O2/c1-10(14-18-17-13-8-4-5-9-19(13)14)20-15(21)11-6-2-3-7-12(11)16(20)22/h2-10H,1H3/t10-/m1/s1
InChIKeyWAGZHLJXGJWFGT-SNVBAGLBSA-N
XLogP2.09
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945
CID 163871249
CID 163871249
2-(1,3-dioxoisoindol-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 42650767
[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]azanium;chloride;hydrochloride
CID 171109541
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2,2,2-trifluoro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 62492143
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione (CID 18477617) is 2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione is C[C@H](c1nnc2ccccn12)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione?
The InChIKey is WAGZHLJXGJWFGT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-10(14-18-17-13-8-4-5-9-19(13)14)20-15(21)11-6-2-3-7-12(11)16(20)22/h2-10H,1H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione?
2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione has a molecular weight of 292.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 18477617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).