1-(cyclohexylmethyl)-4-phenyltriazole

C15H19N3 — CID 24793749

IUPAC1-(cyclohexylmethyl)-4-phenyltriazole
SMILESc1ccc(-c2cn(CC3CCCCC3)nn2)cc1
InChIInChI=1S/C15H19N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2
InChIKeyZRGGLLSGBKISME-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.53
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-phenyltriazole

1-(cyclohexylmethyl)-4-phenyltriazole (PubChem CID 24793749) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-phenyltriazole
PubChem CID24793749
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(cyclohexylmethyl)-4-phenyltriazole
SMILESc1ccc(-c2cn(CC3CCCCC3)nn2)cc1
InChIInChI=1S/C15H19N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2
InChIKeyZRGGLLSGBKISME-UHFFFAOYSA-N
XLogP3.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-phenyltriazole?
The IUPAC name of 1-(cyclohexylmethyl)-4-phenyltriazole (CID 24793749) is 1-(cyclohexylmethyl)-4-phenyltriazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-phenyltriazole?
The canonical SMILES for 1-(cyclohexylmethyl)-4-phenyltriazole is c1ccc(-c2cn(CC3CCCCC3)nn2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-phenyltriazole?
The InChIKey is ZRGGLLSGBKISME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-7-13(8-4-1)11-18-12-15(16-17-18)14-9-5-2-6-10-14/h2,5-6,9-10,12-13H,1,3-4,7-8,11H2.
What are the key properties of 1-(cyclohexylmethyl)-4-phenyltriazole?
1-(cyclohexylmethyl)-4-phenyltriazole has a molecular weight of 241.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-phenyltriazole is sourced from PubChem (CID 24793749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).