3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide

C13H15FN4O — CID 15943513

IUPAC3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide
SMILESCc1nc(C)n(CCC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4O/c1-9-15-10(2)18(17-9)8-7-13(19)16-12-5-3-11(14)4-6-12/h3-6H,7-8H2,1-2H3,(H,16,19)
InChIKeyQBHIZDDWLRHMCA-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.06
Rot. Bonds4

About 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide (PubChem CID 15943513) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide
PubChem CID15943513
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide
SMILESCc1nc(C)n(CCC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C13H15FN4O/c1-9-15-10(2)18(17-9)8-7-13(19)16-12-5-3-11(14)4-6-12/h3-6H,7-8H2,1-2H3,(H,16,19)
InChIKeyQBHIZDDWLRHMCA-UHFFFAOYSA-N
XLogP2.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide 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 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide (CID 15943513) is 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide is Cc1nc(C)n(CCC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide?
The InChIKey is QBHIZDDWLRHMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-9-15-10(2)18(17-9)8-7-13(19)16-12-5-3-11(14)4-6-12/h3-6H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide?
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide has a molecular weight of 262.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 15943513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).