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

C22H20N2O2 — CID 15504852

IUPAC2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine
SMILESCOc1ccc(/C=C/c2cnc(/C=C/c3ccc(OC)cc3)cn2)cc1
InChIInChI=1S/C22H20N2O2/c1-25-21-11-5-17(6-12-21)3-9-19-15-24-20(16-23-19)10-4-18-7-13-22(26-2)14-8-18/h3-16H,1-2H3/b9-3+,10-4+
InChIKeyZGXQLVRLPJXTIK-LQIBPGRFSA-N
MW344.41 g/mol
LogP4.83
Rot. Bonds6

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

2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine (PubChem CID 15504852) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine
PubChem CID15504852
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine
SMILESCOc1ccc(/C=C/c2cnc(/C=C/c3ccc(OC)cc3)cn2)cc1
InChIInChI=1S/C22H20N2O2/c1-25-21-11-5-17(6-12-21)3-9-19-15-24-20(16-23-19)10-4-18-7-13-22(26-2)14-8-18/h3-16H,1-2H3/b9-3+,10-4+
InChIKeyZGXQLVRLPJXTIK-LQIBPGRFSA-N
XLogP4.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine?
The IUPAC name of 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine (CID 15504852) is 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine.
What is the SMILES notation for 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine?
The canonical SMILES for 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine is COc1ccc(/C=C/c2cnc(/C=C/c3ccc(OC)cc3)cn2)cc1.
What is the InChIKey of 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine?
The InChIKey is ZGXQLVRLPJXTIK-LQIBPGRFSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-21-11-5-17(6-12-21)3-9-19-15-24-20(16-23-19)10-4-18-7-13-22(26-2)14-8-18/h3-16H,1-2H3/b9-3+,10-4+.
What are the key properties of 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine?
2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine has a molecular weight of 344.41 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine is sourced from PubChem (CID 15504852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).