2-cyclohexylbenzotriazole

C12H15N3 — CID 3801568

IUPAC2-cyclohexylbenzotriazole
SMILESc1ccc2nn(C3CCCCC3)nc2c1
InChIInChI=1S/C12H15N3/c1-2-6-10(7-3-1)15-13-11-8-4-5-9-12(11)14-15/h4-5,8-10H,1-3,6-7H2
InChIKeyCPCJSLDHBSZVOZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.94
Rot. Bonds1

About 2-cyclohexylbenzotriazole

2-cyclohexylbenzotriazole (PubChem CID 3801568) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-cyclohexylbenzotriazole.

Molecular Properties

Compound Name2-cyclohexylbenzotriazole
PubChem CID3801568
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-cyclohexylbenzotriazole
SMILESc1ccc2nn(C3CCCCC3)nc2c1
InChIInChI=1S/C12H15N3/c1-2-6-10(7-3-1)15-13-11-8-4-5-9-12(11)14-15/h4-5,8-10H,1-3,6-7H2
InChIKeyCPCJSLDHBSZVOZ-UHFFFAOYSA-N
XLogP2.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylbenzotriazole?
The IUPAC name of 2-cyclohexylbenzotriazole (CID 3801568) is 2-cyclohexylbenzotriazole.
What is the SMILES notation for 2-cyclohexylbenzotriazole?
The canonical SMILES for 2-cyclohexylbenzotriazole is c1ccc2nn(C3CCCCC3)nc2c1.
What is the InChIKey of 2-cyclohexylbenzotriazole?
The InChIKey is CPCJSLDHBSZVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-6-10(7-3-1)15-13-11-8-4-5-9-12(11)14-15/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 2-cyclohexylbenzotriazole?
2-cyclohexylbenzotriazole has a molecular weight of 201.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylbenzotriazole is sourced from PubChem (CID 3801568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).