5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid

C14H23N3O3 — CID 82211441

IUPAC5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(CCCO)c1CCC1CCCCC1
InChIInChI=1S/C14H23N3O3/c18-10-4-9-17-12(13(14(19)20)15-16-17)8-7-11-5-2-1-3-6-11/h11,18H,1-10H2,(H,19,20)
InChIKeyQYNVTGGLSTYAJA-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.87
Rot. Bonds7

About 5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid

5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid (PubChem CID 82211441) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid
PubChem CID82211441
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid
SMILESO=C(O)c1nnn(CCCO)c1CCC1CCCCC1
InChIInChI=1S/C14H23N3O3/c18-10-4-9-17-12(13(14(19)20)15-16-17)8-7-11-5-2-1-3-6-11/h11,18H,1-10H2,(H,19,20)
InChIKeyQYNVTGGLSTYAJA-UHFFFAOYSA-N
XLogP1.87
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclohexylethyl)-1-pentyltriazole-4-carboxylic acid
CID 82205617
1-heptyl-5-propyltriazole-4-carboxylic acid
CID 62055253
1-(cyclopentylmethyl)-5-(2-methoxyethyl)triazole-4-carboxylic acid
CID 102645888
5-(2-cyclohexylethyl)-1-heptyltriazole-4-carbaldehyde
CID 82208091
1-(4-hydroxybutyl)-5-(methoxymethyl)triazole-4-carboxylic acid
CID 102643264
5-(2-cyclohexylethyl)-1-pentyltriazole-4-carbonitrile
CID 82205794
1-(6-hydroxyhexyl)triazole-4,5-dicarboxylic acid
CID 139367683
1-(2-aminoethyl)-5-propyltriazole-4-carboxylic acid
CID 62054059
5-(2-aminoethyl)-1-decyltriazole-4-carboxylic acid
CID 103119120
5-butyl-1-(3-carboxypropyl)triazole-4-carboxylic acid
CID 82211959
5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde
CID 82205078
1-(oxan-2-ylmethyl)-5-propyltriazole-4-carboxylic acid
CID 62055419

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid?
The IUPAC name of 5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid (CID 82211441) is 5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid is O=C(O)c1nnn(CCCO)c1CCC1CCCCC1.
What is the InChIKey of 5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid?
The InChIKey is QYNVTGGLSTYAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c18-10-4-9-17-12(13(14(19)20)15-16-17)8-7-11-5-2-1-3-6-11/h11,18H,1-10H2,(H,19,20).
What are the key properties of 5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid?
5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid is sourced from PubChem (CID 82211441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).