1-benzyl-4-(cyclohexen-1-yl)triazole

C15H17N3 — CID 10354235

IUPAC1-benzyl-4-(cyclohexen-1-yl)triazole
SMILESC1=C(c2cn(Cc3ccccc3)nn2)CCCC1
InChIInChI=1S/C15H17N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1,3-4,7-9,12H,2,5-6,10-11H2
InChIKeyITHXVNHUGCAYAB-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.28
Rot. Bonds3

About 1-benzyl-4-(cyclohexen-1-yl)triazole

1-benzyl-4-(cyclohexen-1-yl)triazole (PubChem CID 10354235) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-benzyl-4-(cyclohexen-1-yl)triazole.

Molecular Properties

Compound Name1-benzyl-4-(cyclohexen-1-yl)triazole
PubChem CID10354235
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-benzyl-4-(cyclohexen-1-yl)triazole
SMILESC1=C(c2cn(Cc3ccccc3)nn2)CCCC1
InChIInChI=1S/C15H17N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1,3-4,7-9,12H,2,5-6,10-11H2
InChIKeyITHXVNHUGCAYAB-UHFFFAOYSA-N
XLogP3.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(cyclohexen-1-yl)triazole?
The IUPAC name of 1-benzyl-4-(cyclohexen-1-yl)triazole (CID 10354235) is 1-benzyl-4-(cyclohexen-1-yl)triazole.
What is the SMILES notation for 1-benzyl-4-(cyclohexen-1-yl)triazole?
The canonical SMILES for 1-benzyl-4-(cyclohexen-1-yl)triazole is C1=C(c2cn(Cc3ccccc3)nn2)CCCC1.
What is the InChIKey of 1-benzyl-4-(cyclohexen-1-yl)triazole?
The InChIKey is ITHXVNHUGCAYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h1,3-4,7-9,12H,2,5-6,10-11H2.
What are the key properties of 1-benzyl-4-(cyclohexen-1-yl)triazole?
1-benzyl-4-(cyclohexen-1-yl)triazole has a molecular weight of 239.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(cyclohexen-1-yl)triazole is sourced from PubChem (CID 10354235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).