1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile

C18H14N4 — CID 82198035

IUPAC1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
SMILESCc1cccc(-n2nnc(C#N)c2/C=C/c2ccccc2)c1
InChIInChI=1S/C18H14N4/c1-14-6-5-9-16(12-14)22-18(17(13-19)20-21-22)11-10-15-7-3-2-4-8-15/h2-12H,1H3/b11-10+
InChIKeyDSDJCMVUGJXCJN-ZHACJKMWSA-N
MW286.34 g/mol
LogP3.62
Rot. Bonds3

About 1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile

1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile (PubChem CID 82198035) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
PubChem CID82198035
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
SMILESCc1cccc(-n2nnc(C#N)c2/C=C/c2ccccc2)c1
InChIInChI=1S/C18H14N4/c1-14-6-5-9-16(12-14)22-18(17(13-19)20-21-22)11-10-15-7-3-2-4-8-15/h2-12H,1H3/b11-10+
InChIKeyDSDJCMVUGJXCJN-ZHACJKMWSA-N
XLogP3.62
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbaldehyde
CID 82198036
1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carboxylic acid
CID 82201376
1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile
CID 94938483
5-(2-chlorophenyl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 82198010
5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 82197960
1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
CID 94937901
5-[(E)-2-phenylethenyl]-1-propyltriazole-4-carbonitrile
CID 82205093
5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile
CID 94935693
5-(1H-indol-3-ylmethyl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 94938256
1-(3,5-dimethylphenyl)-5-phenyltriazole-4-carbonitrile
CID 82198728
5-[(E)-2-(4-methylphenyl)ethenyl]-1-phenyltriazole-4-carboxylic acid
CID 82201380
1-(3-fluorophenyl)-5-[(E)-2-phenylethenyl]triazole-4-carboxylic acid
CID 94940585

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile?
The IUPAC name of 1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile (CID 82198035) is 1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile.
What is the SMILES notation for 1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile?
The canonical SMILES for 1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile is Cc1cccc(-n2nnc(C#N)c2/C=C/c2ccccc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile?
The InChIKey is DSDJCMVUGJXCJN-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H14N4/c1-14-6-5-9-16(12-14)22-18(17(13-19)20-21-22)11-10-15-7-3-2-4-8-15/h2-12H,1H3/b11-10+.
What are the key properties of 1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile?
1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile has a molecular weight of 286.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile is sourced from PubChem (CID 82198035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).