5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one

C19H15N3O4 — CID 171342915

IUPAC5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one
SMILESO=c1cc(Cn2cc(COc3cccc4ccccc34)nn2)occ1O
InChIInChI=1S/C19H15N3O4/c23-17-8-15(25-12-18(17)24)10-22-9-14(20-21-22)11-26-19-7-3-5-13-4-1-2-6-16(13)19/h1-9,12,24H,10-11H2
InChIKeyKENKCBXNIZYELJ-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.72
Rot. Bonds5

About 5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one

5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one (PubChem CID 171342915) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one
PubChem CID171342915
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one
SMILESO=c1cc(Cn2cc(COc3cccc4ccccc34)nn2)occ1O
InChIInChI=1S/C19H15N3O4/c23-17-8-15(25-12-18(17)24)10-22-9-14(20-21-22)11-26-19-7-3-5-13-4-1-2-6-16(13)19/h1-9,12,24H,10-11H2
InChIKeyKENKCBXNIZYELJ-UHFFFAOYSA-N
XLogP2.72
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one (CID 171342915) is 5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one is O=c1cc(Cn2cc(COc3cccc4ccccc34)nn2)occ1O.
What is the InChIKey of 5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one?
The InChIKey is KENKCBXNIZYELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-17-8-15(25-12-18(17)24)10-22-9-14(20-21-22)11-26-19-7-3-5-13-4-1-2-6-16(13)19/h1-9,12,24H,10-11H2.
What are the key properties of 5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one?
5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one has a molecular weight of 349.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[4-(naphthalen-1-yloxymethyl)triazol-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 171342915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).