1-(4-cyclohexyloxyphenyl)-1,2,4-triazole

C14H17N3O — CID 86214626

IUPAC1-(4-cyclohexyloxyphenyl)-1,2,4-triazole
SMILESc1ncn(-c2ccc(OC3CCCCC3)cc2)n1
InChIInChI=1S/C14H17N3O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)17-11-15-10-16-17/h6-11,13H,1-5H2
InChIKeyMKFLTALXMMDISH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.98
Rot. Bonds3

About 1-(4-cyclohexyloxyphenyl)-1,2,4-triazole

1-(4-cyclohexyloxyphenyl)-1,2,4-triazole (PubChem CID 86214626) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(4-cyclohexyloxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-cyclohexyloxyphenyl)-1,2,4-triazole
PubChem CID86214626
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(4-cyclohexyloxyphenyl)-1,2,4-triazole
SMILESc1ncn(-c2ccc(OC3CCCCC3)cc2)n1
InChIInChI=1S/C14H17N3O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)17-11-15-10-16-17/h6-11,13H,1-5H2
InChIKeyMKFLTALXMMDISH-UHFFFAOYSA-N
XLogP2.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyloxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-(4-cyclohexyloxyphenyl)-1,2,4-triazole (CID 86214626) is 1-(4-cyclohexyloxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-cyclohexyloxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-cyclohexyloxyphenyl)-1,2,4-triazole is c1ncn(-c2ccc(OC3CCCCC3)cc2)n1.
What is the InChIKey of 1-(4-cyclohexyloxyphenyl)-1,2,4-triazole?
The InChIKey is MKFLTALXMMDISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)17-11-15-10-16-17/h6-11,13H,1-5H2.
What are the key properties of 1-(4-cyclohexyloxyphenyl)-1,2,4-triazole?
1-(4-cyclohexyloxyphenyl)-1,2,4-triazole has a molecular weight of 243.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyloxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 86214626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).