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

C19H24N4 — CID 94935763

IUPAC5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile
SMILESCCc1ccccc1-n1nnc(C#N)c1CCC1CCCCC1
InChIInChI=1S/C19H24N4/c1-2-16-10-6-7-11-18(16)23-19(17(14-20)21-22-23)13-12-15-8-4-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3
InChIKeyUBWIATIQPPFHGD-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.21
Rot. Bonds5

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

5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile (PubChem CID 94935763) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile
PubChem CID94935763
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile
SMILESCCc1ccccc1-n1nnc(C#N)c1CCC1CCCCC1
InChIInChI=1S/C19H24N4/c1-2-16-10-6-7-11-18(16)23-19(17(14-20)21-22-23)13-12-15-8-4-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3
InChIKeyUBWIATIQPPFHGD-UHFFFAOYSA-N
XLogP4.21
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile?
The IUPAC name of 5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile (CID 94935763) is 5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile.
What is the SMILES notation for 5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile?
The canonical SMILES for 5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile is CCc1ccccc1-n1nnc(C#N)c1CCC1CCCCC1.
What is the InChIKey of 5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile?
The InChIKey is UBWIATIQPPFHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-2-16-10-6-7-11-18(16)23-19(17(14-20)21-22-23)13-12-15-8-4-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3.
What are the key properties of 5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile?
5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile has a molecular weight of 308.43 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-1-(2-ethylphenyl)triazole-4-carbonitrile is sourced from PubChem (CID 94935763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).