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

C18H19N5O2 — CID 46225083

IUPAC2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3)C2)cn1
InChIInChI=1S/C18H19N5O2/c1-13-20-21-18(23(13)14-8-9-17(24-2)19-10-14)22-11-16(12-22)25-15-6-4-3-5-7-15/h3-10,16H,11-12H2,1-2H3
InChIKeyKAOZZDOSJCXQAS-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.25
Rot. Bonds5

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

2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine (PubChem CID 46225083) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine
PubChem CID46225083
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3)C2)cn1
InChIInChI=1S/C18H19N5O2/c1-13-20-21-18(23(13)14-8-9-17(24-2)19-10-14)22-11-16(12-22)25-15-6-4-3-5-7-15/h3-10,16H,11-12H2,1-2H3
InChIKeyKAOZZDOSJCXQAS-UHFFFAOYSA-N
XLogP2.25
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine?
The IUPAC name of 2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine (CID 46225083) is 2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine.
What is the SMILES notation for 2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine?
The canonical SMILES for 2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine is COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3)C2)cn1.
What is the InChIKey of 2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine?
The InChIKey is KAOZZDOSJCXQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13-20-21-18(23(13)14-8-9-17(24-2)19-10-14)22-11-16(12-22)25-15-6-4-3-5-7-15/h3-10,16H,11-12H2,1-2H3.
What are the key properties of 2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine?
2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine has a molecular weight of 337.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-methyl-5-(3-phenoxyazetidin-1-yl)-1,2,4-triazol-4-yl]pyridine is sourced from PubChem (CID 46225083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).