5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile

C15H16N4S — CID 122479707

IUPAC5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc(/C=C/C2CCCCC2)s1
InChIInChI=1S/C15H16N4S/c16-10-13-15(18-19-17-13)14-9-8-12(20-14)7-6-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18,19)/b7-6+
InChIKeyLFQGLCZBDAGMKH-VOTSOKGWSA-N
MW284.39 g/mol
LogP4.00
Rot. Bonds3

About 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile

5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile (PubChem CID 122479707) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile
PubChem CID122479707
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc(/C=C/C2CCCCC2)s1
InChIInChI=1S/C15H16N4S/c16-10-13-15(18-19-17-13)14-9-8-12(20-14)7-6-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18,19)/b7-6+
InChIKeyLFQGLCZBDAGMKH-VOTSOKGWSA-N
XLogP4.00
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile (CID 122479707) is 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1ccc(/C=C/C2CCCCC2)s1.
What is the InChIKey of 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile?
The InChIKey is LFQGLCZBDAGMKH-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H16N4S/c16-10-13-15(18-19-17-13)14-9-8-12(20-14)7-6-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H,17,18,19)/b7-6+.
What are the key properties of 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile?
5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile has a molecular weight of 284.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(E)-2-cyclohexylethenyl]thiophen-2-yl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122479707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).