2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

C11H10N2O — CID 3052616

IUPAC2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
SMILESO=C1CC2Cc3ccccc3C2=NN1
InChIInChI=1S/C11H10N2O/c14-10-6-8-5-7-3-1-2-4-9(7)11(8)13-12-10/h1-4,8H,5-6H2,(H,12,14)
InChIKeyJUWKFPCTXSBEAD-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.08
Rot. Bonds

About 2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one (PubChem CID 3052616) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one.

Molecular Properties

Compound Name2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
PubChem CID3052616
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
SMILESO=C1CC2Cc3ccccc3C2=NN1
InChIInChI=1S/C11H10N2O/c14-10-6-8-5-7-3-1-2-4-9(7)11(8)13-12-10/h1-4,8H,5-6H2,(H,12,14)
InChIKeyJUWKFPCTXSBEAD-UHFFFAOYSA-N
XLogP1.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-4,5-dihydro-3(2H)-pyridazinone
CID 242935
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 2725675
3-Phenyl-5-pyrazolone
CID 78577
5,5-Dimethyl-2,6-dihydropyrazolo[4,3-d][3]benzazepin-3-one
CID 614841
2H,3H,5H-indeno(1,2-c)pyridazin-3-one
CID 100609
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-[(E)-2,3-dihydroinden-1-ylideneamino]oxamide
CID 9651184
3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-2-methyl-
CID 3052619
3H-Indeno(1,2-c)pyridazin-3-one, 2,4,4a,5-tetrahydro-7-amino-
CID 357997
Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-, (+-)-
CID 3078594
6-(4-Fluorophenyl)-4,5-dihydro-3(2H)-pyridazinone
CID 605878

Frequently Asked Questions

What is the IUPAC name of 2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The IUPAC name of 2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one (CID 3052616) is 2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one.
What is the SMILES notation for 2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The canonical SMILES for 2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one is O=C1CC2Cc3ccccc3C2=NN1.
What is the InChIKey of 2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The InChIKey is JUWKFPCTXSBEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-10-6-8-5-7-3-1-2-4-9(7)11(8)13-12-10/h1-4,8H,5-6H2,(H,12,14).
What are the key properties of 2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one has a molecular weight of 186.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one is sourced from PubChem (CID 3052616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).