2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

C12H9N3O — CID 135426722

IUPAC2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C12H9N3O/c16-12-9-6-10(8-4-2-1-3-5-8)14-11(9)7-13-15-12/h1-7,14H,(H,15,16)
InChIKeyIZHYXMJTXPVIMO-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.92
Rot. Bonds1

About 2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (PubChem CID 135426722) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
PubChem CID135426722
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESO=c1[nH]ncc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C12H9N3O/c16-12-9-6-10(8-4-2-1-3-5-8)14-11(9)7-13-15-12/h1-7,14H,(H,15,16)
InChIKeyIZHYXMJTXPVIMO-UHFFFAOYSA-N
XLogP1.92
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (CID 135426722) is 2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is O=c1[nH]ncc2[nH]c(-c3ccccc3)cc12.
What is the InChIKey of 2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is IZHYXMJTXPVIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-9-6-10(8-4-2-1-3-5-8)14-11(9)7-13-15-12/h1-7,14H,(H,15,16).
What are the key properties of 2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 211.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 135426722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).