1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one

C19H16N4O2S — CID 68587488

IUPAC1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
SMILESCCn1cc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)cc(O)c1=O
InChIInChI=1S/C19H16N4O2S/c1-2-22-11-13(10-16(24)18(22)25)17-20-21-19(26)23(17)15-9-5-7-12-6-3-4-8-14(12)15/h3-11,24H,2H2,1H3,(H,21,26)
InChIKeyDAKINGHUKOCWIN-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.64
Rot. Bonds3

About 1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one

1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one (PubChem CID 68587488) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
PubChem CID68587488
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one
SMILESCCn1cc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)cc(O)c1=O
InChIInChI=1S/C19H16N4O2S/c1-2-22-11-13(10-16(24)18(22)25)17-20-21-19(26)23(17)15-9-5-7-12-6-3-4-8-14(12)15/h3-11,24H,2H2,1H3,(H,21,26)
InChIKeyDAKINGHUKOCWIN-UHFFFAOYSA-N
XLogP3.64
TPSA75.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one?
The IUPAC name of 1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one (CID 68587488) is 1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one?
The canonical SMILES for 1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one is CCn1cc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)cc(O)c1=O.
What is the InChIKey of 1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one?
The InChIKey is DAKINGHUKOCWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-2-22-11-13(10-16(24)18(22)25)17-20-21-19(26)23(17)15-9-5-7-12-6-3-4-8-14(12)15/h3-11,24H,2H2,1H3,(H,21,26).
What are the key properties of 1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one?
1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one has a molecular weight of 364.43 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-hydroxy-5-(4-naphthalen-1-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridin-2-one is sourced from PubChem (CID 68587488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).