2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine

C14H13F3N6O — CID 146140972

IUPAC2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine
SMILESCOc1cccc(-c2cn(Cc3cc(C(F)(F)F)nn3C)nn2)n1
InChIInChI=1S/C14H13F3N6O/c1-22-9(6-12(20-22)14(15,16)17)7-23-8-11(19-21-23)10-4-3-5-13(18-10)24-2/h3-6,8H,7H2,1-2H3
InChIKeyPRZSEPFVICENIS-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.15
Rot. Bonds4

About 2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine

2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine (PubChem CID 146140972) has the molecular formula C14H13F3N6O and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine
PubChem CID146140972
Molecular FormulaC14H13F3N6O
Molecular Weight338.29 g/mol
Exact Mass338.11
IUPAC Name2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine
SMILESCOc1cccc(-c2cn(Cc3cc(C(F)(F)F)nn3C)nn2)n1
InChIInChI=1S/C14H13F3N6O/c1-22-9(6-12(20-22)14(15,16)17)7-23-8-11(19-21-23)10-4-3-5-13(18-10)24-2/h3-6,8H,7H2,1-2H3
InChIKeyPRZSEPFVICENIS-UHFFFAOYSA-N
XLogP2.15
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine (CID 146140972) is 2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine is COc1cccc(-c2cn(Cc3cc(C(F)(F)F)nn3C)nn2)n1.
What is the InChIKey of 2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine?
The InChIKey is PRZSEPFVICENIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O/c1-22-9(6-12(20-22)14(15,16)17)7-23-8-11(19-21-23)10-4-3-5-13(18-10)24-2/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine?
2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine has a molecular weight of 338.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]triazol-4-yl]pyridine is sourced from PubChem (CID 146140972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).