2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione

C17H14N6O2 — CID 162524184

IUPAC2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1nccnc1-c1cn(C)nn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N6O2/c1-10(23-16(24)11-5-3-4-6-12(11)17(23)25)14-15(19-8-7-18-14)13-9-22(2)21-20-13/h3-10H,1-2H3
InChIKeyGAYOARPQDCXKNK-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.63
Rot. Bonds3

About 2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione

2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 162524184) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
PubChem CID162524184
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
SMILESCC(c1nccnc1-c1cn(C)nn1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N6O2/c1-10(23-16(24)11-5-3-4-6-12(11)17(23)25)14-15(19-8-7-18-14)13-9-22(2)21-20-13/h3-10H,1-2H3
InChIKeyGAYOARPQDCXKNK-UHFFFAOYSA-N
XLogP1.63
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-[3-[1-(1-methylpyrazol-3-yl)triazol-4-yl]pyrazin-2-yl]ethyl]isoindole-1,3-dione
CID 175870166
2-[(1R)-1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]isoindole-1,3-dione
CID 175763137
2-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
CID 166162262
2-[1-[3-(6-ethoxypyridazin-3-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione
CID 171813881
3,5-dibromo-N-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]benzamide
CID 162524156
1-methyl-4-phenyltriazole
CID 11309663
2-[1-(4-bromoisoquinolin-3-yl)ethyl]isoindole-1,3-dione
CID 67516756
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione
CID 142665166
5,13-di(propan-2-yl)-3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2(6),3,7,9,11,15,17-octaen-14-one
CID 158219062
2-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]isoindole-1,3-dione
CID 18477617
2-[1-[4-(4-chlorophenyl)phenyl]ethyl]isoindole-1,3-dione
CID 91078118

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione (CID 162524184) is 2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione is CC(c1nccnc1-c1cn(C)nn1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is GAYOARPQDCXKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-10(23-16(24)11-5-3-4-6-12(11)17(23)25)14-15(19-8-7-18-14)13-9-22(2)21-20-13/h3-10H,1-2H3.
What are the key properties of 2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione?
2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 334.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1-methyltriazol-4-yl)pyrazin-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 162524184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).