1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone

C17H13N3OS — CID 7207422

IUPAC1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccncc2)nn1)c1ccccc1
InChIInChI=1S/C17H13N3OS/c21-16(14-4-2-1-3-5-14)12-22-17-7-6-15(19-20-17)13-8-10-18-11-9-13/h1-11H,12H2
InChIKeyQZVAJURRIIQZQQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.51
Rot. Bonds5

About 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone

1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone (PubChem CID 7207422) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
PubChem CID7207422
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccncc2)nn1)c1ccccc1
InChIInChI=1S/C17H13N3OS/c21-16(14-4-2-1-3-5-14)12-22-17-7-6-15(19-20-17)13-8-10-18-11-9-13/h1-11H,12H2
InChIKeyQZVAJURRIIQZQQ-UHFFFAOYSA-N
XLogP3.51
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone (CID 7207422) is 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone is O=C(CSc1ccc(-c2ccncc2)nn1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone?
The InChIKey is QZVAJURRIIQZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-16(14-4-2-1-3-5-14)12-22-17-7-6-15(19-20-17)13-8-10-18-11-9-13/h1-11H,12H2.
What are the key properties of 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone?
1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone has a molecular weight of 307.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 7207422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).