1,3-diphenylthieno[3,4-d]pyridazin-4-one

C18H12N2OS — CID 134113755

IUPAC1,3-diphenylthieno[3,4-d]pyridazin-4-one
SMILESO=c1c2cscc2c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C18H12N2OS/c21-18-16-12-22-11-15(16)17(13-7-3-1-4-8-13)19-20(18)14-9-5-2-6-10-14/h1-12H
InChIKeyBKOSERTUILZWER-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.11
Rot. Bonds2

About 1,3-diphenylthieno[3,4-d]pyridazin-4-one

1,3-diphenylthieno[3,4-d]pyridazin-4-one (PubChem CID 134113755) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 1,3-diphenylthieno[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name1,3-diphenylthieno[3,4-d]pyridazin-4-one
PubChem CID134113755
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name1,3-diphenylthieno[3,4-d]pyridazin-4-one
SMILESO=c1c2cscc2c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C18H12N2OS/c21-18-16-12-22-11-15(16)17(13-7-3-1-4-8-13)19-20(18)14-9-5-2-6-10-14/h1-12H
InChIKeyBKOSERTUILZWER-UHFFFAOYSA-N
XLogP4.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylthieno[3,4-d]pyridazin-4-one?
The IUPAC name of 1,3-diphenylthieno[3,4-d]pyridazin-4-one (CID 134113755) is 1,3-diphenylthieno[3,4-d]pyridazin-4-one.
What is the SMILES notation for 1,3-diphenylthieno[3,4-d]pyridazin-4-one?
The canonical SMILES for 1,3-diphenylthieno[3,4-d]pyridazin-4-one is O=c1c2cscc2c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1,3-diphenylthieno[3,4-d]pyridazin-4-one?
The InChIKey is BKOSERTUILZWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-18-16-12-22-11-15(16)17(13-7-3-1-4-8-13)19-20(18)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 1,3-diphenylthieno[3,4-d]pyridazin-4-one?
1,3-diphenylthieno[3,4-d]pyridazin-4-one has a molecular weight of 304.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylthieno[3,4-d]pyridazin-4-one is sourced from PubChem (CID 134113755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).