4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid

C15H17N3O4 — CID 149318678

IUPAC4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nnc1Oc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C15H17N3O4/c19-15(20)13-14(17-18-16-13)22-12-8-4-7-11(9-12)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,20)(H,16,17,18)
InChIKeyYAAHTRGKCIIHLZ-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.01
Rot. Bonds5

About 4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid

4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid (PubChem CID 149318678) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid
PubChem CID149318678
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid
SMILESO=C(O)c1[nH]nnc1Oc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C15H17N3O4/c19-15(20)13-14(17-18-16-13)22-12-8-4-7-11(9-12)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,20)(H,16,17,18)
InChIKeyYAAHTRGKCIIHLZ-UHFFFAOYSA-N
XLogP3.01
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid?
The IUPAC name of 4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid (CID 149318678) is 4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid?
The canonical SMILES for 4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid is O=C(O)c1[nH]nnc1Oc1cccc(OC2CCCCC2)c1.
What is the InChIKey of 4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid?
The InChIKey is YAAHTRGKCIIHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c19-15(20)13-14(17-18-16-13)22-12-8-4-7-11(9-12)21-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,19,20)(H,16,17,18).
What are the key properties of 4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid?
4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyloxyphenoxy)-1H-triazole-5-carboxylic acid is sourced from PubChem (CID 149318678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).