1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole

C11H16N6 — CID 72912983

IUPAC1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole
SMILESc1nc(-c2cn[nH]n2)n(CC2CCCCC2)n1
InChIInChI=1S/C11H16N6/c1-2-4-9(5-3-1)7-17-11(12-8-14-17)10-6-13-16-15-10/h6,8-9H,1-5,7H2,(H,13,15,16)
InChIKeyWACATJCAJUXJCT-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.64
Rot. Bonds3

About 1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole

1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole (PubChem CID 72912983) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole
PubChem CID72912983
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole
SMILESc1nc(-c2cn[nH]n2)n(CC2CCCCC2)n1
InChIInChI=1S/C11H16N6/c1-2-4-9(5-3-1)7-17-11(12-8-14-17)10-6-13-16-15-10/h6,8-9H,1-5,7H2,(H,13,15,16)
InChIKeyWACATJCAJUXJCT-UHFFFAOYSA-N
XLogP1.64
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole?
The IUPAC name of 1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole (CID 72912983) is 1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole is c1nc(-c2cn[nH]n2)n(CC2CCCCC2)n1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole?
The InChIKey is WACATJCAJUXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-2-4-9(5-3-1)7-17-11(12-8-14-17)10-6-13-16-15-10/h6,8-9H,1-5,7H2,(H,13,15,16).
What are the key properties of 1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole?
1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole has a molecular weight of 232.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(2H-triazol-4-yl)-1,2,4-triazole is sourced from PubChem (CID 72912983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).