1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide

C14H17FN4O2 — CID 3230990

IUPAC1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(C(C)c2ccccc2F)nn1
InChIInChI=1S/C14H17FN4O2/c1-10(11-5-3-4-6-12(11)15)19-9-13(17-18-19)14(20)16-7-8-21-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,20)
InChIKeyNNEXLEGHXIECBX-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.40
Rot. Bonds6

About 1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide

1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide (PubChem CID 3230990) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide
PubChem CID3230990
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(C(C)c2ccccc2F)nn1
InChIInChI=1S/C14H17FN4O2/c1-10(11-5-3-4-6-12(11)15)19-9-13(17-18-19)14(20)16-7-8-21-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,20)
InChIKeyNNEXLEGHXIECBX-UHFFFAOYSA-N
XLogP1.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide 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-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide?
The IUPAC name of 1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide (CID 3230990) is 1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide?
The canonical SMILES for 1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide is COCCNC(=O)c1cn(C(C)c2ccccc2F)nn1.
What is the InChIKey of 1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide?
The InChIKey is NNEXLEGHXIECBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-10(11-5-3-4-6-12(11)15)19-9-13(17-18-19)14(20)16-7-8-21-2/h3-6,9-10H,7-8H2,1-2H3,(H,16,20).
What are the key properties of 1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide?
1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)ethyl]-N-(2-methoxyethyl)triazole-4-carboxamide is sourced from PubChem (CID 3230990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).