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

C18H18ClN5O2 — CID 46225116

IUPAC5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1
InChIInChI=1S/C18H18ClN5O2/c1-12-21-22-18(24(12)13-7-8-17(25-2)20-9-13)23-10-14(11-23)26-16-6-4-3-5-15(16)19/h3-9,14H,10-11H2,1-2H3
InChIKeyBKPNHETWBVUDLZ-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.90
Rot. Bonds5

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

5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine (PubChem CID 46225116) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
PubChem CID46225116
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
SMILESCOc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1
InChIInChI=1S/C18H18ClN5O2/c1-12-21-22-18(24(12)13-7-8-17(25-2)20-9-13)23-10-14(11-23)26-16-6-4-3-5-15(16)19/h3-9,14H,10-11H2,1-2H3
InChIKeyBKPNHETWBVUDLZ-UHFFFAOYSA-N
XLogP2.90
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The IUPAC name of 5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine (CID 46225116) is 5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine.
What is the SMILES notation for 5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The canonical SMILES for 5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine is COc1ccc(-n2c(C)nnc2N2CC(Oc3ccccc3Cl)C2)cn1.
What is the InChIKey of 5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
The InChIKey is BKPNHETWBVUDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-12-21-22-18(24(12)13-7-8-17(25-2)20-9-13)23-10-14(11-23)26-16-6-4-3-5-15(16)19/h3-9,14H,10-11H2,1-2H3.
What are the key properties of 5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine?
5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine has a molecular weight of 371.83 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine is sourced from PubChem (CID 46225116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).