5-(2-cyclohexylethyl)-1,4-dimethyltriazole

C12H21N3 — CID 90385890

IUPAC5-(2-cyclohexylethyl)-1,4-dimethyltriazole
SMILESCc1nnn(C)c1CCC1CCCCC1
InChIInChI=1S/C12H21N3/c1-10-12(15(2)14-13-10)9-8-11-6-4-3-5-7-11/h11H,3-9H2,1-2H3
InChIKeyYZGVOVXZBSQFGW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.64
Rot. Bonds3

About 5-(2-cyclohexylethyl)-1,4-dimethyltriazole

5-(2-cyclohexylethyl)-1,4-dimethyltriazole (PubChem CID 90385890) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-1,4-dimethyltriazole.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-1,4-dimethyltriazole
PubChem CID90385890
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-(2-cyclohexylethyl)-1,4-dimethyltriazole
SMILESCc1nnn(C)c1CCC1CCCCC1
InChIInChI=1S/C12H21N3/c1-10-12(15(2)14-13-10)9-8-11-6-4-3-5-7-11/h11H,3-9H2,1-2H3
InChIKeyYZGVOVXZBSQFGW-UHFFFAOYSA-N
XLogP2.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-1,4-dimethyltriazole?
The IUPAC name of 5-(2-cyclohexylethyl)-1,4-dimethyltriazole (CID 90385890) is 5-(2-cyclohexylethyl)-1,4-dimethyltriazole.
What is the SMILES notation for 5-(2-cyclohexylethyl)-1,4-dimethyltriazole?
The canonical SMILES for 5-(2-cyclohexylethyl)-1,4-dimethyltriazole is Cc1nnn(C)c1CCC1CCCCC1.
What is the InChIKey of 5-(2-cyclohexylethyl)-1,4-dimethyltriazole?
The InChIKey is YZGVOVXZBSQFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-12(15(2)14-13-10)9-8-11-6-4-3-5-7-11/h11H,3-9H2,1-2H3.
What are the key properties of 5-(2-cyclohexylethyl)-1,4-dimethyltriazole?
5-(2-cyclohexylethyl)-1,4-dimethyltriazole has a molecular weight of 207.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-1,4-dimethyltriazole is sourced from PubChem (CID 90385890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).