2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine

C22H20N2O2 — CID 134997323

IUPAC2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine
SMILESCOc1ccc(/C=C/c2nccnc2/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-25-19-9-3-17(4-10-19)7-13-21-22(24-16-15-23-21)14-8-18-5-11-20(26-2)12-6-18/h3-16H,1-2H3/b13-7+,14-8+
InChIKeyQQTBCUMSHOESAC-FNCQTZNRSA-N
MW344.41 g/mol
LogP4.83
Rot. Bonds6

About 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine

2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine (PubChem CID 134997323) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine
PubChem CID134997323
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine
SMILESCOc1ccc(/C=C/c2nccnc2/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H20N2O2/c1-25-19-9-3-17(4-10-19)7-13-21-22(24-16-15-23-21)14-8-18-5-11-20(26-2)12-6-18/h3-16H,1-2H3/b13-7+,14-8+
InChIKeyQQTBCUMSHOESAC-FNCQTZNRSA-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 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine?
The IUPAC name of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine (CID 134997323) is 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine.
What is the SMILES notation for 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine?
The canonical SMILES for 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine is COc1ccc(/C=C/c2nccnc2/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine?
The InChIKey is QQTBCUMSHOESAC-FNCQTZNRSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-19-9-3-17(4-10-19)7-13-21-22(24-16-15-23-21)14-8-18-5-11-20(26-2)12-6-18/h3-16H,1-2H3/b13-7+,14-8+.
What are the key properties of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine?
2,3-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 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine is sourced from PubChem (CID 134997323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).