1,4-dicyclohexyltriazole

C14H23N3 — CID 46204135

IUPAC1,4-dicyclohexyltriazole
SMILESc1c(C2CCCCC2)nnn1C1CCCCC1
InChIInChI=1S/C14H23N3/c1-3-7-12(8-4-1)14-11-17(16-15-14)13-9-5-2-6-10-13/h11-13H,1-10H2
InChIKeyXFWUEFKZSHNZKQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.83
Rot. Bonds2

About 1,4-dicyclohexyltriazole

1,4-dicyclohexyltriazole (PubChem CID 46204135) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1,4-dicyclohexyltriazole.

Molecular Properties

Compound Name1,4-dicyclohexyltriazole
PubChem CID46204135
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1,4-dicyclohexyltriazole
SMILESc1c(C2CCCCC2)nnn1C1CCCCC1
InChIInChI=1S/C14H23N3/c1-3-7-12(8-4-1)14-11-17(16-15-14)13-9-5-2-6-10-13/h11-13H,1-10H2
InChIKeyXFWUEFKZSHNZKQ-UHFFFAOYSA-N
XLogP3.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dicyclohexyltriazole?
The IUPAC name of 1,4-dicyclohexyltriazole (CID 46204135) is 1,4-dicyclohexyltriazole.
What is the SMILES notation for 1,4-dicyclohexyltriazole?
The canonical SMILES for 1,4-dicyclohexyltriazole is c1c(C2CCCCC2)nnn1C1CCCCC1.
What is the InChIKey of 1,4-dicyclohexyltriazole?
The InChIKey is XFWUEFKZSHNZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-7-12(8-4-1)14-11-17(16-15-14)13-9-5-2-6-10-13/h11-13H,1-10H2.
What are the key properties of 1,4-dicyclohexyltriazole?
1,4-dicyclohexyltriazole has a molecular weight of 233.36 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dicyclohexyltriazole is sourced from PubChem (CID 46204135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).