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

C15H10N4O — CID 100968728

IUPAC5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile
SMILESCOc1ccc(/C=C/c2cnc(C#N)c(C#N)n2)cc1
InChIInChI=1S/C15H10N4O/c1-20-13-6-3-11(4-7-13)2-5-12-10-18-14(8-16)15(9-17)19-12/h2-7,10H,1H3/b5-2+
InChIKeyQXRCWDYEMLNAEG-GORDUTHDSA-N
MW262.27 g/mol
LogP2.40
Rot. Bonds3

About 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile

5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile (PubChem CID 100968728) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile
PubChem CID100968728
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile
SMILESCOc1ccc(/C=C/c2cnc(C#N)c(C#N)n2)cc1
InChIInChI=1S/C15H10N4O/c1-20-13-6-3-11(4-7-13)2-5-12-10-18-14(8-16)15(9-17)19-12/h2-7,10H,1H3/b5-2+
InChIKeyQXRCWDYEMLNAEG-GORDUTHDSA-N
XLogP2.40
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(E)-2-phenylethenyl]pyrazine-2,3-dicarbonitrile
CID 15357442
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
CID 92532273
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981
4-[(E)-2-[4-(4-methoxyphenyl)phenyl]ethenyl]pyrimidine
CID 57409110
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde
CID 102160663
4-[4-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]phenyl]benzonitrile
CID 59562152
methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
CID 11129341
3-(4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050
2-[(E)-2-(4-phenoxyphenyl)ethenyl]quinoxaline
CID 66776126
4-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]-2H-triazole
CID 158018374

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile (CID 100968728) is 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile is COc1ccc(/C=C/c2cnc(C#N)c(C#N)n2)cc1.
What is the InChIKey of 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile?
The InChIKey is QXRCWDYEMLNAEG-GORDUTHDSA-N. The full InChI is InChI=1S/C15H10N4O/c1-20-13-6-3-11(4-7-13)2-5-12-10-18-14(8-16)15(9-17)19-12/h2-7,10H,1H3/b5-2+.
What are the key properties of 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile?
5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile has a molecular weight of 262.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-methoxyphenyl)ethenyl]pyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 100968728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).