5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde

C14H24N4O — CID 82211034

IUPAC5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
SMILESCCC(CC)c1c(C=O)nnn1CCN1CCCC1
InChIInChI=1S/C14H24N4O/c1-3-12(4-2)14-13(11-19)15-16-18(14)10-9-17-7-5-6-8-17/h11-12H,3-10H2,1-2H3
InChIKeyKCLAHPSFBRDGNH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.09
Rot. Bonds7

About 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde

5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde (PubChem CID 82211034) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
PubChem CID82211034
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
SMILESCCC(CC)c1c(C=O)nnn1CCN1CCCC1
InChIInChI=1S/C14H24N4O/c1-3-12(4-2)14-13(11-19)15-16-18(14)10-9-17-7-5-6-8-17/h11-12H,3-10H2,1-2H3
InChIKeyKCLAHPSFBRDGNH-UHFFFAOYSA-N
XLogP2.09
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-5-pentan-3-yltriazole-4-carbaldehyde
CID 82205293
5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
CID 82211016
5-pentan-3-yl-1-(4-phenoxybutyl)triazole-4-carbaldehyde
CID 94945242
5-(2-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
CID 82211058
5-[(4-methoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
CID 94946173
1-[(2-fluorophenyl)methyl]-5-pentan-3-yltriazole-4-carbaldehyde
CID 82203900
5-(2-chlorophenyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
CID 82211102
1-heptyl-5-propan-2-yltriazole-4-carbaldehyde
CID 82208006
5-benzhydryl-1-propyltriazole-4-carbaldehyde
CID 82204968
5-methyl-1-(2-piperidin-1-ylethyl)triazole-4-carboxylic acid
CID 62054566
5-methyl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxamide
CID 82211172
1-(4-methyl-1,3-thiazol-2-yl)-5-pentan-3-yltriazole-4-carbaldehyde
CID 82221035

Frequently Asked Questions

What is the IUPAC name of 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde?
The IUPAC name of 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde (CID 82211034) is 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde.
What is the SMILES notation for 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde?
The canonical SMILES for 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde is CCC(CC)c1c(C=O)nnn1CCN1CCCC1.
What is the InChIKey of 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde?
The InChIKey is KCLAHPSFBRDGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12(4-2)14-13(11-19)15-16-18(14)10-9-17-7-5-6-8-17/h11-12H,3-10H2,1-2H3.
What are the key properties of 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde?
5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde has a molecular weight of 264.37 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-3-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde is sourced from PubChem (CID 82211034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).