5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one

C13H11N3O2 — CID 54210904

IUPAC5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C13H11N3O2/c1-7-4-12(18)15-16-13(7)8-2-3-10-9(5-8)6-11(17)14-10/h2-3,5-7H,4H2,1H3,(H,15,18)
InChIKeyPVWNXBGLIUGGHD-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.51
Rot. Bonds1

About 5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one

5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one (PubChem CID 54210904) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one.

Molecular Properties

Compound Name5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
PubChem CID54210904
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
SMILESCC1CC(=O)NN=C1c1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C13H11N3O2/c1-7-4-12(18)15-16-13(7)8-2-3-10-9(5-8)6-11(17)14-10/h2-3,5-7H,4H2,1H3,(H,15,18)
InChIKeyPVWNXBGLIUGGHD-UHFFFAOYSA-N
XLogP-0.51
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US20240308973, Example 35
CID 172643560
US20240308973, Example 40
CID 172643561
4-Propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one
CID 134578028
ethane;3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-(3-methylbutyl)-1H-pyridazin-6-one
CID 143573124
4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium
CID 159997452
potassium 3-[3-fluoro-5-(2-oxoethyl)benzene-4-id-1-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 172323924
(6S)-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide
CID 97628543
(6R)-3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide
CID 97628544
3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxamide
CID 102567437
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-(3-methylbutyl)-1H-pyridazin-6-one
CID 143573125

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one?
The IUPAC name of 5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one (CID 54210904) is 5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one.
What is the SMILES notation for 5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one?
The canonical SMILES for 5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one is CC1CC(=O)NN=C1c1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one?
The InChIKey is PVWNXBGLIUGGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-7-4-12(18)15-16-13(7)8-2-3-10-9(5-8)6-11(17)14-10/h2-3,5-7H,4H2,1H3,(H,15,18).
What are the key properties of 5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one?
5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one has a molecular weight of 241.25 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one is sourced from PubChem (CID 54210904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).