3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one

C16H16N4O2 — CID 71139758

IUPAC3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one
SMILESCOc1cccn(CCc2cn(-c3ccccc3)nn2)c1=O
InChIInChI=1S/C16H16N4O2/c1-22-15-8-5-10-19(16(15)21)11-9-13-12-20(18-17-13)14-6-3-2-4-7-14/h2-8,10,12H,9,11H2,1H3
InChIKeyZJWFQZOMEXCRLJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.68
Rot. Bonds5

About 3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one

3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one (PubChem CID 71139758) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one
PubChem CID71139758
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one
SMILESCOc1cccn(CCc2cn(-c3ccccc3)nn2)c1=O
InChIInChI=1S/C16H16N4O2/c1-22-15-8-5-10-19(16(15)21)11-9-13-12-20(18-17-13)14-6-3-2-4-7-14/h2-8,10,12H,9,11H2,1H3
InChIKeyZJWFQZOMEXCRLJ-UHFFFAOYSA-N
XLogP1.68
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one (CID 71139758) is 3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one is COc1cccn(CCc2cn(-c3ccccc3)nn2)c1=O.
What is the InChIKey of 3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one?
The InChIKey is ZJWFQZOMEXCRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-15-8-5-10-19(16(15)21)11-9-13-12-20(18-17-13)14-6-3-2-4-7-14/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one?
3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one has a molecular weight of 296.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(1-phenyltriazol-4-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 71139758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).