2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine

C18H18N4 — CID 56933066

IUPAC2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine
SMILESCn1cccc1/C=C/c1cnc(/C=C/c2cccn2C)cn1
InChIInChI=1S/C18H18N4/c1-21-11-3-5-17(21)9-7-15-13-20-16(14-19-15)8-10-18-6-4-12-22(18)2/h3-14H,1-2H3/b9-7+,10-8+
InChIKeyAAOJCBSHRFMQSC-FIFLTTCUSA-N
MW290.37 g/mol
LogP3.49
Rot. Bonds4

About 2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine

2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine (PubChem CID 56933066) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine
PubChem CID56933066
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine
SMILESCn1cccc1/C=C/c1cnc(/C=C/c2cccn2C)cn1
InChIInChI=1S/C18H18N4/c1-21-11-3-5-17(21)9-7-15-13-20-16(14-19-15)8-10-18-6-4-12-22(18)2/h3-14H,1-2H3/b9-7+,10-8+
InChIKeyAAOJCBSHRFMQSC-FIFLTTCUSA-N
XLogP3.49
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine?
The IUPAC name of 2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine (CID 56933066) is 2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine.
What is the SMILES notation for 2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine?
The canonical SMILES for 2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine is Cn1cccc1/C=C/c1cnc(/C=C/c2cccn2C)cn1.
What is the InChIKey of 2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine?
The InChIKey is AAOJCBSHRFMQSC-FIFLTTCUSA-N. The full InChI is InChI=1S/C18H18N4/c1-21-11-3-5-17(21)9-7-15-13-20-16(14-19-15)8-10-18-6-4-12-22(18)2/h3-14H,1-2H3/b9-7+,10-8+.
What are the key properties of 2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine?
2,5-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyrazine has a molecular weight of 290.37 g/mol, XLogP of 3.49, 4 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-(1-methylpyrrol-2-yl)ethenyl]pyrazine is sourced from PubChem (CID 56933066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).