1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone

C17H15FN4O — CID 58191712

IUPAC1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone
SMILESCc1cc(CC(=O)c2nnn(-c3ccc(F)cc3)c2C)ccn1
InChIInChI=1S/C17H15FN4O/c1-11-9-13(7-8-19-11)10-16(23)17-12(2)22(21-20-17)15-5-3-14(18)4-6-15/h3-9H,10H2,1-2H3
InChIKeyBEYOGXIHSZPHER-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.84
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone

1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone (PubChem CID 58191712) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone
PubChem CID58191712
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone
SMILESCc1cc(CC(=O)c2nnn(-c3ccc(F)cc3)c2C)ccn1
InChIInChI=1S/C17H15FN4O/c1-11-9-13(7-8-19-11)10-16(23)17-12(2)22(21-20-17)15-5-3-14(18)4-6-15/h3-9H,10H2,1-2H3
InChIKeyBEYOGXIHSZPHER-UHFFFAOYSA-N
XLogP2.84
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone 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-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone (CID 58191712) is 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone is Cc1cc(CC(=O)c2nnn(-c3ccc(F)cc3)c2C)ccn1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone?
The InChIKey is BEYOGXIHSZPHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-9-13(7-8-19-11)10-16(23)17-12(2)22(21-20-17)15-5-3-14(18)4-6-15/h3-9H,10H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone?
1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone has a molecular weight of 310.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-methyltriazol-4-yl]-2-(2-methyl-4-pyridinyl)ethanone is sourced from PubChem (CID 58191712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).