1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile

C20H18N4 — CID 94938483

IUPAC1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile
SMILESCCc1ccc(-n2nnc(C#N)c2/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C20H18N4/c1-3-16-8-11-18(12-9-16)24-20(19(14-21)22-23-24)13-10-17-6-4-15(2)5-7-17/h4-13H,3H2,1-2H3/b13-10+
InChIKeyPQFLKHAKBXDXHK-JLHYYAGUSA-N
MW314.39 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile

1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile (PubChem CID 94938483) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile
PubChem CID94938483
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile
SMILESCCc1ccc(-n2nnc(C#N)c2/C=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C20H18N4/c1-3-16-8-11-18(12-9-16)24-20(19(14-21)22-23-24)13-10-17-6-4-15(2)5-7-17/h4-13H,3H2,1-2H3/b13-10+
InChIKeyPQFLKHAKBXDXHK-JLHYYAGUSA-N
XLogP4.18
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-5-methyltriazole-4-carbonitrile
CID 82198355
1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
CID 82198035
5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile
CID 94935693
5-[(E)-2-(4-methylphenyl)ethenyl]-1-pentyltriazole-4-carbonitrile
CID 82205814
[1-(4-methylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazol-4-yl]methanamine
CID 82199235
5-[2-(4-methylphenyl)ethyl]-1-phenyltriazole-4-carbonitrile
CID 82200234
1-(4-methylphenyl)-5-(2-methylpropyl)triazole-4-carbonitrile
CID 82199103
1-(4-ethylphenyl)-5-pyridin-3-yltriazole-4-carbonitrile
CID 82198431
1-(4-ethylphenyl)-5-thiophen-2-yltriazole-4-carbonitrile
CID 82198391
1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
CID 94937901
5-[(E)-2-(4-methylphenyl)ethenyl]-1-phenyltriazole-4-carboxylic acid
CID 82201380
1-(3-fluorophenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbaldehyde
CID 94937649

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile?
The IUPAC name of 1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile (CID 94938483) is 1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile.
What is the SMILES notation for 1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile?
The canonical SMILES for 1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile is CCc1ccc(-n2nnc(C#N)c2/C=C/c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile?
The InChIKey is PQFLKHAKBXDXHK-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H18N4/c1-3-16-8-11-18(12-9-16)24-20(19(14-21)22-23-24)13-10-17-6-4-15(2)5-7-17/h4-13H,3H2,1-2H3/b13-10+.
What are the key properties of 1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile?
1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile is sourced from PubChem (CID 94938483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).