2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine

C11H11F3N4 — CID 170038009

IUPAC2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)nc(C)c1Cn1cncn1
InChIInChI=1S/C11H11F3N4/c1-7-3-10(11(12,13)14)17-8(2)9(7)4-18-6-15-5-16-18/h3,5-6H,4H2,1-2H3
InChIKeyUFTRUVWBQITOPC-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.36
Rot. Bonds2

About 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine

2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine (PubChem CID 170038009) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine
PubChem CID170038009
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)nc(C)c1Cn1cncn1
InChIInChI=1S/C11H11F3N4/c1-7-3-10(11(12,13)14)17-8(2)9(7)4-18-6-15-5-16-18/h3,5-6H,4H2,1-2H3
InChIKeyUFTRUVWBQITOPC-UHFFFAOYSA-N
XLogP2.36
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine 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 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine (CID 170038009) is 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)nc(C)c1Cn1cncn1.
What is the InChIKey of 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine?
The InChIKey is UFTRUVWBQITOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-7-3-10(11(12,13)14)17-8(2)9(7)4-18-6-15-5-16-18/h3,5-6H,4H2,1-2H3.
What are the key properties of 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine?
2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine has a molecular weight of 256.23 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 170038009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).