5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine

C19H20FN5O2 — CID 11667812

IUPAC5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1
InChIInChI=1S/C19H20FN5O2/c1-12-8-14(20)4-6-17(12)27-16-10-24(11-16)19-23-22-13(2)25(19)15-5-7-18(26-3)21-9-15/h4-9,16H,10-11H2,1-3H3
InChIKeyYCUKNIRQPJXXQQ-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.69
Rot. Bonds5

About 5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine

5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine (PubChem CID 11667812) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
PubChem CID11667812
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1
InChIInChI=1S/C19H20FN5O2/c1-12-8-14(20)4-6-17(12)27-16-10-24(11-16)19-23-22-13(2)25(19)15-5-7-18(26-3)21-9-15/h4-9,16H,10-11H2,1-3H3
InChIKeyYCUKNIRQPJXXQQ-UHFFFAOYSA-N
XLogP2.69
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine (CID 11667812) is 5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine is COc1ccc(-n2c(C)nnc2N2CC(Oc3ccc(F)cc3C)C2)cn1.
What is the InChIKey of 5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The InChIKey is YCUKNIRQPJXXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-12-8-14(20)4-6-17(12)27-16-10-24(11-16)19-23-22-13(2)25(19)15-5-7-18(26-3)21-9-15/h4-9,16H,10-11H2,1-3H3.
What are the key properties of 5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine has a molecular weight of 369.40 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine is sourced from PubChem (CID 11667812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).