2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole

C19H18N6 — CID 57331250

IUPAC2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole
SMILESCc1ncc(C)n2nc(CCc3cn4c(n3)-c3ccccc3C4)nc12
InChIInChI=1S/C19H18N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyDBMVTWOKPCPULJ-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.75
Rot. Bonds3

About 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole (PubChem CID 57331250) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole
PubChem CID57331250
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole
SMILESCc1ncc(C)n2nc(CCc3cn4c(n3)-c3ccccc3C4)nc12
InChIInChI=1S/C19H18N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyDBMVTWOKPCPULJ-UHFFFAOYSA-N
XLogP2.75
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole?
The IUPAC name of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole (CID 57331250) is 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole.
What is the SMILES notation for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole?
The canonical SMILES for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole is Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3ccccc3C4)nc12.
What is the InChIKey of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole?
The InChIKey is DBMVTWOKPCPULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole?
2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole has a molecular weight of 330.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-5H-imidazo[2,1-a]isoindole is sourced from PubChem (CID 57331250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).