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

C16H16N4O2 — CID 71139737

IUPAC3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one
SMILESO=c1c(O)cccn1CCCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H16N4O2/c21-15-9-5-11-19(16(15)22)10-4-6-13-12-20(18-17-13)14-7-2-1-3-8-14/h1-3,5,7-9,11-12,21H,4,6,10H2
InChIKeyUKYQPLKUTMNHFA-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.77
Rot. Bonds5

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

3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one (PubChem CID 71139737) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one
PubChem CID71139737
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one
SMILESO=c1c(O)cccn1CCCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H16N4O2/c21-15-9-5-11-19(16(15)22)10-4-6-13-12-20(18-17-13)14-7-2-1-3-8-14/h1-3,5,7-9,11-12,21H,4,6,10H2
InChIKeyUKYQPLKUTMNHFA-UHFFFAOYSA-N
XLogP1.77
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one?
The IUPAC name of 3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one (CID 71139737) is 3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one.
What is the SMILES notation for 3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one?
The canonical SMILES for 3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one is O=c1c(O)cccn1CCCc1cn(-c2ccccc2)nn1.
What is the InChIKey of 3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one?
The InChIKey is UKYQPLKUTMNHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15-9-5-11-19(16(15)22)10-4-6-13-12-20(18-17-13)14-7-2-1-3-8-14/h1-3,5,7-9,11-12,21H,4,6,10H2.
What are the key properties of 3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one?
3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one has a molecular weight of 296.33 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[3-(1-phenyltriazol-4-yl)propyl]pyridin-2-one is sourced from PubChem (CID 71139737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).