5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde

C14H23N3O — CID 82205078

IUPAC5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde
SMILESCCCn1nnc(C=O)c1CCC1CCCCC1
InChIInChI=1S/C14H23N3O/c1-2-10-17-14(13(11-18)15-16-17)9-8-12-6-4-3-5-7-12/h11-12H,2-10H2,1H3
InChIKeyZXNWYATZHDGNLU-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.01
Rot. Bonds6

About 5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde

5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde (PubChem CID 82205078) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde
PubChem CID82205078
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde
SMILESCCCn1nnc(C=O)c1CCC1CCCCC1
InChIInChI=1S/C14H23N3O/c1-2-10-17-14(13(11-18)15-16-17)9-8-12-6-4-3-5-7-12/h11-12H,2-10H2,1H3
InChIKeyZXNWYATZHDGNLU-UHFFFAOYSA-N
XLogP3.01
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(2-cyclohexylethyl)-1-heptyltriazole-4-carbaldehyde
CID 82208091
5-(2-cyclohexylethyl)-1-ethyltriazole-4-carbaldehyde
CID 82207406
5-(2-cyclohexylethyl)-1-pentyltriazole-4-carboxylic acid
CID 82205617
1-(3-methylbutyl)-5-propyltriazole-4-carbaldehyde
CID 82208213
5-(2-cyclohexylethyl)-1-(3,4-dimethylphenyl)triazole-4-carbaldehyde
CID 94936978
5-(2-cyclohexylethyl)-1-pentyltriazole-4-carbonitrile
CID 82205794
1-propyl-5-(trifluoromethyl)triazole-4-carbaldehyde
CID 82205083
5-(2-cyclohexylethyl)-1-(3-hydroxypropyl)triazole-4-carboxylic acid
CID 82211441
5-(2-cyclohexylethyl)-1-(3-methylbutyl)triazole-4-carbonitrile
CID 82208369
1-(3-phenoxypropyl)-5-propyltriazole-4-carbaldehyde
CID 82209374
1-butyl-5-[2-(4-methylphenyl)ethyl]triazole-4-carbaldehyde
CID 82205456
1-[(4-fluorophenyl)methyl]-5-propyltriazole-4-carbaldehyde
CID 82203486

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde?
The IUPAC name of 5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde (CID 82205078) is 5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde?
The canonical SMILES for 5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde is CCCn1nnc(C=O)c1CCC1CCCCC1.
What is the InChIKey of 5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde?
The InChIKey is ZXNWYATZHDGNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-10-17-14(13(11-18)15-16-17)9-8-12-6-4-3-5-7-12/h11-12H,2-10H2,1H3.
What are the key properties of 5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde?
5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde has a molecular weight of 249.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-1-propyltriazole-4-carbaldehyde is sourced from PubChem (CID 82205078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).