5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile

C17H11FN4O — CID 94935693

IUPAC5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile
SMILESN#Cc1nnn(-c2ccc(O)cc2)c1/C=C/c1ccc(F)cc1
InChIInChI=1S/C17H11FN4O/c18-13-4-1-12(2-5-13)3-10-17-16(11-19)20-21-22(17)14-6-8-15(23)9-7-14/h1-10,23H/b10-3+
InChIKeyAYXJCCZJDCDKEG-XCVCLJGOSA-N
MW306.30 g/mol
LogP3.15
Rot. Bonds3

About 5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile

5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile (PubChem CID 94935693) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile
PubChem CID94935693
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile
SMILESN#Cc1nnn(-c2ccc(O)cc2)c1/C=C/c1ccc(F)cc1
InChIInChI=1S/C17H11FN4O/c18-13-4-1-12(2-5-13)3-10-17-16(11-19)20-21-22(17)14-6-8-15(23)9-7-14/h1-10,23H/b10-3+
InChIKeyAYXJCCZJDCDKEG-XCVCLJGOSA-N
XLogP3.15
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-(hydroxymethyl)triazol-1-yl]phenol
CID 94935692
1-(4-ethylphenyl)-5-[(E)-2-(4-methylphenyl)ethenyl]triazole-4-carbonitrile
CID 94938483
1-(3-methylphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
CID 82198035
1-(4-fluorophenyl)-5-pentan-3-yltriazole-4-carbonitrile
CID 82196745
5-[(4-fluorophenyl)methyl]-1-phenyltriazole-4-carbonitrile
CID 82200187
5-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)triazole-4-carbonitrile
CID 94937449
1-(2-ethoxyphenyl)-5-[(E)-2-phenylethenyl]triazole-4-carbonitrile
CID 94937901
4-[4-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethylpyrazol-1-yl]benzonitrile
CID 68991867
(E)-3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]prop-2-en-1-one
CID 139051728
(E)-3-(4-fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]prop-2-en-1-one
CID 139051727
1-(4-fluorophenyl)-3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]urea
CID 71496034
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyltriazol-4-yl]methanol
CID 82207834

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile?
The IUPAC name of 5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile (CID 94935693) is 5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile.
What is the SMILES notation for 5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile?
The canonical SMILES for 5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile is N#Cc1nnn(-c2ccc(O)cc2)c1/C=C/c1ccc(F)cc1.
What is the InChIKey of 5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile?
The InChIKey is AYXJCCZJDCDKEG-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H11FN4O/c18-13-4-1-12(2-5-13)3-10-17-16(11-19)20-21-22(17)14-6-8-15(23)9-7-14/h1-10,23H/b10-3+.
What are the key properties of 5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile?
5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile has a molecular weight of 306.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-fluorophenyl)ethenyl]-1-(4-hydroxyphenyl)triazole-4-carbonitrile is sourced from PubChem (CID 94935693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).