2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one

C17H11N3OS — CID 3965196

IUPAC2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccs2)nn1-c1ccccn1
InChIInChI=1S/C17H11N3OS/c21-17-13-7-2-1-6-12(13)16(14-8-5-11-22-14)19-20(17)15-9-3-4-10-18-15/h1-11H
InChIKeyVWIGLGQYVZSVFF-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.51
Rot. Bonds2

About 2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one

2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one (PubChem CID 3965196) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one.

Molecular Properties

Compound Name2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one
PubChem CID3965196
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccs2)nn1-c1ccccn1
InChIInChI=1S/C17H11N3OS/c21-17-13-7-2-1-6-12(13)16(14-8-5-11-22-14)19-20(17)15-9-3-4-10-18-15/h1-11H
InChIKeyVWIGLGQYVZSVFF-UHFFFAOYSA-N
XLogP3.51
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one?
The IUPAC name of 2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one (CID 3965196) is 2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one.
What is the SMILES notation for 2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one?
The canonical SMILES for 2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one is O=c1c2ccccc2c(-c2cccs2)nn1-c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one?
The InChIKey is VWIGLGQYVZSVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-17-13-7-2-1-6-12(13)16(14-8-5-11-22-14)19-20(17)15-9-3-4-10-18-15/h1-11H.
What are the key properties of 2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one?
2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one has a molecular weight of 305.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-4-thiophen-2-ylphthalazin-1-one is sourced from PubChem (CID 3965196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).