2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one

C7H7N3O — CID 70067908

IUPAC2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one
SMILESO=C1N=NCC2=C1NCC=C2
InChIInChI=1S/C7H7N3O/c11-7-6-5(4-9-10-7)2-1-3-8-6/h1-2,8H,3-4H2
InChIKeyJANMKRBILHEORU-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.39
Rot. Bonds

About 2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one

2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one (PubChem CID 70067908) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one
PubChem CID70067908
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one
SMILESO=C1N=NCC2=C1NCC=C2
InChIInChI=1S/C7H7N3O/c11-7-6-5(4-9-10-7)2-1-3-8-6/h1-2,8H,3-4H2
InChIKeyJANMKRBILHEORU-UHFFFAOYSA-N
XLogP0.39
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one (CID 70067908) is 2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one is O=C1N=NCC2=C1NCC=C2.
What is the InChIKey of 2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one?
The InChIKey is JANMKRBILHEORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-6-5(4-9-10-7)2-1-3-8-6/h1-2,8H,3-4H2.
What are the key properties of 2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one?
2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one has a molecular weight of 149.15 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 70067908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).