N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide

C14H17FN4O — CID 53008592

IUPACN-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1nc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN4O/c1-9(2)14(20)16-8-7-12-17-13(19-18-12)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyYOCIDALEGRCCIZ-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.93
Rot. Bonds5

About N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide

N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide (PubChem CID 53008592) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide
PubChem CID53008592
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC NameN-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCc1nc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN4O/c1-9(2)14(20)16-8-7-12-17-13(19-18-12)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyYOCIDALEGRCCIZ-UHFFFAOYSA-N
XLogP1.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide 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 N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide (CID 53008592) is N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCc1nc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide?
The InChIKey is YOCIDALEGRCCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-9(2)14(20)16-8-7-12-17-13(19-18-12)10-3-5-11(15)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide?
N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide has a molecular weight of 276.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 53008592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).