3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one

C8H7N3O2 — CID 67965325

IUPAC3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one
SMILESCC(=O)c1n[nH]c2[nH]ccc2c1=O
InChIInChI=1S/C8H7N3O2/c1-4(12)6-7(13)5-2-3-9-8(5)11-10-6/h2-3H,1H3,(H2,9,11,13)
InChIKeyUBDQISQGUFMRIR-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.45
Rot. Bonds1

About 3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one

3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one (PubChem CID 67965325) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one.

Molecular Properties

Compound Name3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one
PubChem CID67965325
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one
SMILESCC(=O)c1n[nH]c2[nH]ccc2c1=O
InChIInChI=1S/C8H7N3O2/c1-4(12)6-7(13)5-2-3-9-8(5)11-10-6/h2-3H,1H3,(H2,9,11,13)
InChIKeyUBDQISQGUFMRIR-UHFFFAOYSA-N
XLogP0.45
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one?
The IUPAC name of 3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one (CID 67965325) is 3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one.
What is the SMILES notation for 3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one?
The canonical SMILES for 3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one is CC(=O)c1n[nH]c2[nH]ccc2c1=O.
What is the InChIKey of 3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one?
The InChIKey is UBDQISQGUFMRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-4(12)6-7(13)5-2-3-9-8(5)11-10-6/h2-3H,1H3,(H2,9,11,13).
What are the key properties of 3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one?
3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one has a molecular weight of 177.16 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1,7-dihydropyrrolo[2,3-c]pyridazin-4-one is sourced from PubChem (CID 67965325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).