2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine

C11H11F3N4O — CID 157012072

IUPAC2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1cc(C)c(-c2nc(C(F)(F)F)n(C)n2)cn1
InChIInChI=1S/C11H11F3N4O/c1-6-4-8(19-3)15-5-7(6)9-16-10(11(12,13)14)18(2)17-9/h4-5H,1-3H3
InChIKeyYOXHYSWNJXFDET-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.21
Rot. Bonds2

About 2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine

2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 157012072) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID157012072
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine
SMILESCOc1cc(C)c(-c2nc(C(F)(F)F)n(C)n2)cn1
InChIInChI=1S/C11H11F3N4O/c1-6-4-8(19-3)15-5-7(6)9-16-10(11(12,13)14)18(2)17-9/h4-5H,1-3H3
InChIKeyYOXHYSWNJXFDET-UHFFFAOYSA-N
XLogP2.21
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine (CID 157012072) is 2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine is COc1cc(C)c(-c2nc(C(F)(F)F)n(C)n2)cn1.
What is the InChIKey of 2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is YOXHYSWNJXFDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-6-4-8(19-3)15-5-7(6)9-16-10(11(12,13)14)18(2)17-9/h4-5H,1-3H3.
What are the key properties of 2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine?
2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 272.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-5-[1-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 157012072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).