1,4-dicyclohexylbenzotriazole

C18H25N3 — CID 23036150

IUPAC1,4-dicyclohexylbenzotriazole
SMILESc1cc(C2CCCCC2)c2nnn(C3CCCCC3)c2c1
InChIInChI=1S/C18H25N3/c1-3-8-14(9-4-1)16-12-7-13-17-18(16)19-20-21(17)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2
InChIKeyAXUUVGRUAFZULY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.98
Rot. Bonds2

About 1,4-dicyclohexylbenzotriazole

1,4-dicyclohexylbenzotriazole (PubChem CID 23036150) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1,4-dicyclohexylbenzotriazole.

Molecular Properties

Compound Name1,4-dicyclohexylbenzotriazole
PubChem CID23036150
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1,4-dicyclohexylbenzotriazole
SMILESc1cc(C2CCCCC2)c2nnn(C3CCCCC3)c2c1
InChIInChI=1S/C18H25N3/c1-3-8-14(9-4-1)16-12-7-13-17-18(16)19-20-21(17)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2
InChIKeyAXUUVGRUAFZULY-UHFFFAOYSA-N
XLogP4.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dicyclohexylbenzotriazole?
The IUPAC name of 1,4-dicyclohexylbenzotriazole (CID 23036150) is 1,4-dicyclohexylbenzotriazole.
What is the SMILES notation for 1,4-dicyclohexylbenzotriazole?
The canonical SMILES for 1,4-dicyclohexylbenzotriazole is c1cc(C2CCCCC2)c2nnn(C3CCCCC3)c2c1.
What is the InChIKey of 1,4-dicyclohexylbenzotriazole?
The InChIKey is AXUUVGRUAFZULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-8-14(9-4-1)16-12-7-13-17-18(16)19-20-21(17)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2.
What are the key properties of 1,4-dicyclohexylbenzotriazole?
1,4-dicyclohexylbenzotriazole has a molecular weight of 283.42 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dicyclohexylbenzotriazole is sourced from PubChem (CID 23036150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).