5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

C12H10N4O3 — CID 1473669

IUPAC5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESCOc1ccc(-n2nc3c(=O)[nH][nH]c3cc2=O)cc1
InChIInChI=1S/C12H10N4O3/c1-19-8-4-2-7(3-5-8)16-10(17)6-9-11(15-16)12(18)14-13-9/h2-6,13H,1H3,(H,14,18)
InChIKeyUUKNFTQIDSRUQI-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.41
Rot. Bonds2

About 5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (PubChem CID 1473669) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
PubChem CID1473669
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESCOc1ccc(-n2nc3c(=O)[nH][nH]c3cc2=O)cc1
InChIInChI=1S/C12H10N4O3/c1-19-8-4-2-7(3-5-8)16-10(17)6-9-11(15-16)12(18)14-13-9/h2-6,13H,1H3,(H,14,18)
InChIKeyUUKNFTQIDSRUQI-UHFFFAOYSA-N
XLogP0.41
TPSA92.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The IUPAC name of 5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (CID 1473669) is 5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is COc1ccc(-n2nc3c(=O)[nH][nH]c3cc2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The InChIKey is UUKNFTQIDSRUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-19-8-4-2-7(3-5-8)16-10(17)6-9-11(15-16)12(18)14-13-9/h2-6,13H,1H3,(H,14,18).
What are the key properties of 5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione has a molecular weight of 258.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is sourced from PubChem (CID 1473669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).