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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Related Compounds

2-(1-cyclopropylbenzotriazol-4-yl)ethanamine
CID 83881240
2-amino-1-(1-cyclopropylbenzotriazol-4-yl)ethanol
CID 83888150
1,4-dicyclohexyltriazole
CID 46204135
1-cyclohexylbenzotriazole-5-carboxamide
CID 53015649
2,6-di(cycloheptyl)aniline
CID 156891849
1-(2-methylcycloheptyl)benzotriazole-4-carboxylic acid
CID 115541950
1-cyclohexyl-4,5-diphenyltriazole
CID 165349356
2-cyclohexylphenolate
CID 21162907
2,3-dicyclohexylbenzenethiol
CID 22497850
CID 173153342
CID 173153342
3-cyclohexyltriazolo[4,5-d]pyrimidin-7-amine
CID 90792997
1,2,4,5-tetrakis(2,6-dicyclohexylphenyl)benzene
CID 176589303

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).