3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one

C19H13N3O — CID 11483405

IUPAC3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one
SMILESO=c1[nH]c2c(-c3ccccc3)nncc2cc1-c1ccccc1
InChIInChI=1S/C19H13N3O/c23-19-16(13-7-3-1-4-8-13)11-15-12-20-22-18(17(15)21-19)14-9-5-2-6-10-14/h1-12H,(H,21,23)
InChIKeyLIWQDTCLVDARMK-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.65
Rot. Bonds2

About 3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one

3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one (PubChem CID 11483405) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one
PubChem CID11483405
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one
SMILESO=c1[nH]c2c(-c3ccccc3)nncc2cc1-c1ccccc1
InChIInChI=1S/C19H13N3O/c23-19-16(13-7-3-1-4-8-13)11-15-12-20-22-18(17(15)21-19)14-9-5-2-6-10-14/h1-12H,(H,21,23)
InChIKeyLIWQDTCLVDARMK-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one (CID 11483405) is 3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one is O=c1[nH]c2c(-c3ccccc3)nncc2cc1-c1ccccc1.
What is the InChIKey of 3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one?
The InChIKey is LIWQDTCLVDARMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-19-16(13-7-3-1-4-8-13)11-15-12-20-22-18(17(15)21-19)14-9-5-2-6-10-14/h1-12H,(H,21,23).
What are the key properties of 3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one?
3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one has a molecular weight of 299.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diphenyl-1H-pyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 11483405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).