2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

C23H16N4O — CID 1234255

IUPAC2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccccc3)nc12
InChIInChI=1S/C23H16N4O/c28-23-21-19(20(24-25-23)16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)27(26-21)18-14-8-3-9-15-18/h1-15H,(H,25,28)
InChIKeyKXFMOORCLXICKX-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.44
Rot. Bonds3

About 2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one

2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (PubChem CID 1234255) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
PubChem CID1234255
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccccc3)nc12
InChIInChI=1S/C23H16N4O/c28-23-21-19(20(24-25-23)16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)27(26-21)18-14-8-3-9-15-18/h1-15H,(H,25,28)
InChIKeyKXFMOORCLXICKX-UHFFFAOYSA-N
XLogP4.44
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one (CID 1234255) is 2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is O=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccccc3)nc12.
What is the InChIKey of 2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is KXFMOORCLXICKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c28-23-21-19(20(24-25-23)16-10-4-1-5-11-16)22(17-12-6-2-7-13-17)27(26-21)18-14-8-3-9-15-18/h1-15H,(H,25,28).
What are the key properties of 2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one?
2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 364.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triphenyl-6H-pyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 1234255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).