3-cyclohexyl-5-ethyltriazole-4-carbaldehyde

C11H17N3O — CID 105460839

IUPAC3-cyclohexyl-5-ethyltriazole-4-carbaldehyde
SMILESCCc1nnn(C2CCCCC2)c1C=O
InChIInChI=1S/C11H17N3O/c1-2-10-11(8-15)14(13-12-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3
InChIKeyBKZVBYGZTSQEAF-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.16
Rot. Bonds3

About 3-cyclohexyl-5-ethyltriazole-4-carbaldehyde

3-cyclohexyl-5-ethyltriazole-4-carbaldehyde (PubChem CID 105460839) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-cyclohexyl-5-ethyltriazole-4-carbaldehyde.

Molecular Properties

Compound Name3-cyclohexyl-5-ethyltriazole-4-carbaldehyde
PubChem CID105460839
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-cyclohexyl-5-ethyltriazole-4-carbaldehyde
SMILESCCc1nnn(C2CCCCC2)c1C=O
InChIInChI=1S/C11H17N3O/c1-2-10-11(8-15)14(13-12-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3
InChIKeyBKZVBYGZTSQEAF-UHFFFAOYSA-N
XLogP2.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-ethyltriazole-4-carbaldehyde?
The IUPAC name of 3-cyclohexyl-5-ethyltriazole-4-carbaldehyde (CID 105460839) is 3-cyclohexyl-5-ethyltriazole-4-carbaldehyde.
What is the SMILES notation for 3-cyclohexyl-5-ethyltriazole-4-carbaldehyde?
The canonical SMILES for 3-cyclohexyl-5-ethyltriazole-4-carbaldehyde is CCc1nnn(C2CCCCC2)c1C=O.
What is the InChIKey of 3-cyclohexyl-5-ethyltriazole-4-carbaldehyde?
The InChIKey is BKZVBYGZTSQEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-10-11(8-15)14(13-12-10)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 3-cyclohexyl-5-ethyltriazole-4-carbaldehyde?
3-cyclohexyl-5-ethyltriazole-4-carbaldehyde has a molecular weight of 207.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-ethyltriazole-4-carbaldehyde is sourced from PubChem (CID 105460839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).