1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole

C14H22N6 — CID 72867410

IUPAC1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole
SMILESCc1nc(CCc2nncn2C)n(C2CCCCC2)n1
InChIInChI=1S/C14H22N6/c1-11-16-13(8-9-14-17-15-10-19(14)2)20(18-11)12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3
InChIKeyWTSLASYAYQFOEM-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.01
Rot. Bonds4

About 1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole

1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole (PubChem CID 72867410) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole
PubChem CID72867410
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole
SMILESCc1nc(CCc2nncn2C)n(C2CCCCC2)n1
InChIInChI=1S/C14H22N6/c1-11-16-13(8-9-14-17-15-10-19(14)2)20(18-11)12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3
InChIKeyWTSLASYAYQFOEM-UHFFFAOYSA-N
XLogP2.01
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole?
The IUPAC name of 1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole (CID 72867410) is 1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole?
The canonical SMILES for 1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole is Cc1nc(CCc2nncn2C)n(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole?
The InChIKey is WTSLASYAYQFOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-11-16-13(8-9-14-17-15-10-19(14)2)20(18-11)12-6-4-3-5-7-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole?
1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole has a molecular weight of 274.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-5-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazole is sourced from PubChem (CID 72867410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).