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

C20H24N4O2 — CID 172721093

IUPAC3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one
SMILESCCCCC(Cn1ccc(=O)c(O)c1C)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C20H24N4O2/c1-3-4-10-17(13-23-12-11-19(25)20(26)15(23)2)24-14-18(21-22-24)16-8-6-5-7-9-16/h5-9,11-12,14,17,26H,3-4,10,13H2,1-2H3
InChIKeyGNFRWVZWGIXLNR-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.55
Rot. Bonds7

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

3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one (PubChem CID 172721093) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one
PubChem CID172721093
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one
SMILESCCCCC(Cn1ccc(=O)c(O)c1C)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C20H24N4O2/c1-3-4-10-17(13-23-12-11-19(25)20(26)15(23)2)24-14-18(21-22-24)16-8-6-5-7-9-16/h5-9,11-12,14,17,26H,3-4,10,13H2,1-2H3
InChIKeyGNFRWVZWGIXLNR-UHFFFAOYSA-N
XLogP3.55
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one (CID 172721093) is 3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one is CCCCC(Cn1ccc(=O)c(O)c1C)n1cc(-c2ccccc2)nn1.
What is the InChIKey of 3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one?
The InChIKey is GNFRWVZWGIXLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-4-10-17(13-23-12-11-19(25)20(26)15(23)2)24-14-18(21-22-24)16-8-6-5-7-9-16/h5-9,11-12,14,17,26H,3-4,10,13H2,1-2H3.
What are the key properties of 3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one?
3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one has a molecular weight of 352.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1-[2-(4-phenyltriazol-1-yl)hexyl]pyridin-4-one is sourced from PubChem (CID 172721093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).