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

C15H14N4O2 — CID 71142083

IUPAC3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one
SMILESO=c1c(O)cccn1CCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C15H14N4O2/c20-14-7-4-8-18(15(14)21)9-10-19-11-13(16-17-19)12-5-2-1-3-6-12/h1-8,11,20H,9-10H2
InChIKeyPXKHMOGGHQDQCE-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.51
Rot. Bonds4

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

3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one (PubChem CID 71142083) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one
PubChem CID71142083
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one
SMILESO=c1c(O)cccn1CCn1cc(-c2ccccc2)nn1
InChIInChI=1S/C15H14N4O2/c20-14-7-4-8-18(15(14)21)9-10-19-11-13(16-17-19)12-5-2-1-3-6-12/h1-8,11,20H,9-10H2
InChIKeyPXKHMOGGHQDQCE-UHFFFAOYSA-N
XLogP1.51
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one (CID 71142083) is 3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one is O=c1c(O)cccn1CCn1cc(-c2ccccc2)nn1.
What is the InChIKey of 3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one?
The InChIKey is PXKHMOGGHQDQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-14-7-4-8-18(15(14)21)9-10-19-11-13(16-17-19)12-5-2-1-3-6-12/h1-8,11,20H,9-10H2.
What are the key properties of 3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one?
3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one has a molecular weight of 282.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[2-(4-phenyltriazol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 71142083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).