1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde

C10H15FN4O — CID 121208663

IUPAC1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde
SMILESO=Cc1cn(CC2CCCN2CCF)nn1
InChIInChI=1S/C10H15FN4O/c11-3-5-14-4-1-2-10(14)7-15-6-9(8-16)12-13-15/h6,8,10H,1-5,7H2
InChIKeyOPMFTYCHAFLXGS-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.52
Rot. Bonds5

About 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde

1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde (PubChem CID 121208663) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde
PubChem CID121208663
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde
SMILESO=Cc1cn(CC2CCCN2CCF)nn1
InChIInChI=1S/C10H15FN4O/c11-3-5-14-4-1-2-10(14)7-15-6-9(8-16)12-13-15/h6,8,10H,1-5,7H2
InChIKeyOPMFTYCHAFLXGS-UHFFFAOYSA-N
XLogP0.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde?
The IUPAC name of 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde (CID 121208663) is 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde.
What is the SMILES notation for 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde?
The canonical SMILES for 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde is O=Cc1cn(CC2CCCN2CCF)nn1.
What is the InChIKey of 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde?
The InChIKey is OPMFTYCHAFLXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c11-3-5-14-4-1-2-10(14)7-15-6-9(8-16)12-13-15/h6,8,10H,1-5,7H2.
What are the key properties of 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde?
1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde has a molecular weight of 226.25 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluoroethyl)pyrrolidin-2-yl]methyl]triazole-4-carbaldehyde is sourced from PubChem (CID 121208663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).