1-benzyl-5-cyclohexyltriazole-4-carbonitrile

C16H18N4 — CID 82203030

IUPAC1-benzyl-5-cyclohexyltriazole-4-carbonitrile
SMILESN#Cc1nnn(Cc2ccccc2)c1C1CCCCC1
InChIInChI=1S/C16H18N4/c17-11-15-16(14-9-5-2-6-10-14)20(19-18-15)12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-10,12H2
InChIKeyDAFQDVGLBNJJHZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.25
Rot. Bonds3

About 1-benzyl-5-cyclohexyltriazole-4-carbonitrile

1-benzyl-5-cyclohexyltriazole-4-carbonitrile (PubChem CID 82203030) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 1-benzyl-5-cyclohexyltriazole-4-carbonitrile.

Molecular Properties

Compound Name1-benzyl-5-cyclohexyltriazole-4-carbonitrile
PubChem CID82203030
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name1-benzyl-5-cyclohexyltriazole-4-carbonitrile
SMILESN#Cc1nnn(Cc2ccccc2)c1C1CCCCC1
InChIInChI=1S/C16H18N4/c17-11-15-16(14-9-5-2-6-10-14)20(19-18-15)12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-10,12H2
InChIKeyDAFQDVGLBNJJHZ-UHFFFAOYSA-N
XLogP3.25
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile
CID 82203196
4-[(4-cyano-5-cyclopropyltriazol-1-yl)methyl]benzoic acid
CID 82203757
5-cyclopropyl-1-[(3-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82211759
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]triazole-4-carbonitrile
CID 82204197
5-cyclopropyl-1-[(4-nitrophenyl)methyl]triazole-4-carbonitrile
CID 82204141
1,5-dibenzyltriazole-4-carbonitrile
CID 82203072
5-cyclohexyl-1-(2-ethylphenyl)triazole-4-carbonitrile
CID 82195083
1-benzyl-5-[(4-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82203075
1-benzyl-5-(2,3,4,5,6-pentafluorophenyl)triazole-4-carbonitrile
CID 11695985
[1-[(3-chlorophenyl)methyl]-5-cyclohexyltriazol-4-yl]methanamine
CID 82203673
1-[(2-chlorophenyl)methyl]-5-(oxolan-2-yl)triazole-4-carbonitrile
CID 82203405
1-benzyl-4-cyclohexyl-5-prop-2-enyltriazole
CID 154722743

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-cyclohexyltriazole-4-carbonitrile?
The IUPAC name of 1-benzyl-5-cyclohexyltriazole-4-carbonitrile (CID 82203030) is 1-benzyl-5-cyclohexyltriazole-4-carbonitrile.
What is the SMILES notation for 1-benzyl-5-cyclohexyltriazole-4-carbonitrile?
The canonical SMILES for 1-benzyl-5-cyclohexyltriazole-4-carbonitrile is N#Cc1nnn(Cc2ccccc2)c1C1CCCCC1.
What is the InChIKey of 1-benzyl-5-cyclohexyltriazole-4-carbonitrile?
The InChIKey is DAFQDVGLBNJJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c17-11-15-16(14-9-5-2-6-10-14)20(19-18-15)12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-10,12H2.
What are the key properties of 1-benzyl-5-cyclohexyltriazole-4-carbonitrile?
1-benzyl-5-cyclohexyltriazole-4-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-cyclohexyltriazole-4-carbonitrile is sourced from PubChem (CID 82203030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).