5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile

C17H20N4 — CID 82195083

IUPAC5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile
SMILESCCc1ccccc1-n1nnc(C#N)c1C1CCCCC1
InChIInChI=1S/C17H20N4/c1-2-13-8-6-7-11-16(13)21-17(15(12-18)19-20-21)14-9-4-3-5-10-14/h6-8,11,14H,2-5,9-10H2,1H3
InChIKeyUBRGMIXREKEJST-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.75
Rot. Bonds3

About 5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile

5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile (PubChem CID 82195083) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile
PubChem CID82195083
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile
SMILESCCc1ccccc1-n1nnc(C#N)c1C1CCCCC1
InChIInChI=1S/C17H20N4/c1-2-13-8-6-7-11-16(13)21-17(15(12-18)19-20-21)14-9-4-3-5-10-14/h6-8,11,14H,2-5,9-10H2,1H3
InChIKeyUBRGMIXREKEJST-UHFFFAOYSA-N
XLogP3.75
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclobutyl-1-(2-ethylphenyl)triazole-4-carbonitrile
CID 82195145
5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile
CID 94935763
5-cyclopropyl-1-naphthalen-1-yltriazole-4-carbonitrile
CID 82199741
1-benzyl-5-cyclohexyltriazole-4-carbonitrile
CID 82203030
3-(4-cyano-5-cyclohexyltriazol-1-yl)benzoic acid
CID 82197319
methyl 3-(4-cyano-5-cyclohexyltriazol-1-yl)benzoate
CID 94940019
5-(2-chlorophenyl)-1-(2-ethylphenyl)triazole-4-carbonitrile
CID 94935754
1-(3-chloro-4-methoxyphenyl)-5-cyclohexyltriazole-4-carbonitrile
CID 94937335
5-cyclobutyl-1-(4-pyrrolidin-1-ylphenyl)triazole-4-carbonitrile
CID 82199601
1-(4-butylphenyl)-5-cyclopropyltriazole-4-carbonitrile
CID 82195929
1-(4-butoxyphenyl)-5-cyclopropyltriazole-4-carbonitrile
CID 82200464
1-(3-chloro-4-methoxyphenyl)-5-cyclobutyltriazole-4-carbonitrile
CID 82196675

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile?
The IUPAC name of 5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile (CID 82195083) is 5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile.
What is the SMILES notation for 5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile?
The canonical SMILES for 5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile is CCc1ccccc1-n1nnc(C#N)c1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile?
The InChIKey is UBRGMIXREKEJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-2-13-8-6-7-11-16(13)21-17(15(12-18)19-20-21)14-9-4-3-5-10-14/h6-8,11,14H,2-5,9-10H2,1H3.
What are the key properties of 5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile?
5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile has a molecular weight of 280.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile is sourced from PubChem (CID 82195083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).