2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine

C24H24N2O2 — CID 66835743

IUPAC2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine
SMILESCCOc1ccc(C=Cc2cnc(C=Cc3ccc(OCC)cc3)cn2)cc1
InChIInChI=1S/C24H24N2O2/c1-3-27-23-13-7-19(8-14-23)5-11-21-17-26-22(18-25-21)12-6-20-9-15-24(16-10-20)28-4-2/h5-18H,3-4H2,1-2H3
InChIKeyMDRROFCKIQWXEE-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.61
Rot. Bonds8

About 2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine

2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine (PubChem CID 66835743) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine
PubChem CID66835743
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine
SMILESCCOc1ccc(C=Cc2cnc(C=Cc3ccc(OCC)cc3)cn2)cc1
InChIInChI=1S/C24H24N2O2/c1-3-27-23-13-7-19(8-14-23)5-11-21-17-26-22(18-25-21)12-6-20-9-15-24(16-10-20)28-4-2/h5-18H,3-4H2,1-2H3
InChIKeyMDRROFCKIQWXEE-UHFFFAOYSA-N
XLogP5.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine?
The IUPAC name of 2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine (CID 66835743) is 2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine.
What is the SMILES notation for 2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine?
The canonical SMILES for 2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine is CCOc1ccc(C=Cc2cnc(C=Cc3ccc(OCC)cc3)cn2)cc1.
What is the InChIKey of 2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine?
The InChIKey is MDRROFCKIQWXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-3-27-23-13-7-19(8-14-23)5-11-21-17-26-22(18-25-21)12-6-20-9-15-24(16-10-20)28-4-2/h5-18H,3-4H2,1-2H3.
What are the key properties of 2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine?
2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine has a molecular weight of 372.47 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(4-ethoxyphenyl)ethenyl]pyrazine is sourced from PubChem (CID 66835743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).