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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Related Compounds

1-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]cyclohexan-1-ol
CID 109415856
2-cyclohexyloxy-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 87000736
4-(4-cyclopentyloxypyrazol-1-yl)phenol
CID 117229611
1-(4-cycloheptyloxyphenyl)piperidin-4-amine
CID 82925702
4-cycloheptyloxyphenol
CID 67178425
[4-cyclohexyloxy-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]hydrazine
CID 80909888
4-N-[4-(1,2,4-triazol-1-yl)phenyl]cyclohexane-1,4-diamine
CID 79730964
N-[4-(1,2,4-triazol-1-yl)phenyl]piperidin-4-amine
CID 54906609
N-(4-methylcyclohexyl)-4-(1,2,4-triazol-1-yl)aniline
CID 54862721
4-ethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]cycloheptan-1-amine
CID 65083101
N-[(4-cyclopentyloxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51104170
4-cyclopentyloxy-N-ethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80861941

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).