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

C19H16N4O — CID 94937901

IUPAC1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
SMILESCCOc1ccccc1-n1nnc(C#N)c1/C=C/c1ccccc1
InChIInChI=1S/C19H16N4O/c1-2-24-19-11-7-6-10-18(19)23-17(16(14-20)21-22-23)13-12-15-8-4-3-5-9-15/h3-13H,2H2,1H3/b13-12+
InChIKeyGPGKIQDRDPROIL-OUKQBFOZSA-N
MW316.36 g/mol
LogP3.71
Rot. Bonds5

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

1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile (PubChem CID 94937901) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
PubChem CID94937901
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
SMILESCCOc1ccccc1-n1nnc(C#N)c1/C=C/c1ccccc1
InChIInChI=1S/C19H16N4O/c1-2-24-19-11-7-6-10-18(19)23-17(16(14-20)21-22-23)13-12-15-8-4-3-5-9-15/h3-13H,2H2,1H3/b13-12+
InChIKeyGPGKIQDRDPROIL-OUKQBFOZSA-N
XLogP3.71
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(E)-2-phenylethenyl]-1-propyltriazole-4-carbonitrile
CID 82205093
1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
CID 82198035
1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile
CID 94938483
1-(2-ethoxyphenyl)-5-ethyltriazole-4-carboxylic acid
CID 53335498
1,2-diethoxy-3-(2-phenylethenyl)benzene
CID 67865300
3-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropanenitrile
CID 29310629
1-[(2-fluorophenyl)methyl]-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
CID 82203955
[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
CID 94937910
1-(2-ethoxyphenyl)-5-propan-2-yltetrazole
CID 68956850
5-(furan-2-yl)-1-(2-methoxyphenyl)triazole-4-carbonitrile
CID 82199008
3-(2-ethoxyphenyl)benzotriazole-5-carboxylic acid
CID 82770773
[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol
CID 82197444

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile?
The IUPAC name of 1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile (CID 94937901) is 1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile.
What is the SMILES notation for 1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile?
The canonical SMILES for 1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile is CCOc1ccccc1-n1nnc(C#N)c1/C=C/c1ccccc1.
What is the InChIKey of 1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile?
The InChIKey is GPGKIQDRDPROIL-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-24-19-11-7-6-10-18(19)23-17(16(14-20)21-22-23)13-12-15-8-4-3-5-9-15/h3-13H,2H2,1H3/b13-12+.
What are the key properties of 1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile?
1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile is sourced from PubChem (CID 94937901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).