2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one

C13H13N3O — CID 116787754

IUPAC2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1-c1cccnn1)CCCC2=O
InChIInChI=1S/C13H13N3O/c1-9-8-10-11(4-2-5-12(10)17)16(9)13-6-3-7-14-15-13/h3,6-8H,2,4-5H2,1H3
InChIKeyIIDWFGOUUXFBEA-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.09
Rot. Bonds1

About 2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one

2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one (PubChem CID 116787754) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one
PubChem CID116787754
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1-c1cccnn1)CCCC2=O
InChIInChI=1S/C13H13N3O/c1-9-8-10-11(4-2-5-12(10)17)16(9)13-6-3-7-14-15-13/h3,6-8H,2,4-5H2,1H3
InChIKeyIIDWFGOUUXFBEA-UHFFFAOYSA-N
XLogP2.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one (CID 116787754) is 2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one is Cc1cc2c(n1-c1cccnn1)CCCC2=O.
What is the InChIKey of 2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one?
The InChIKey is IIDWFGOUUXFBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-8-10-11(4-2-5-12(10)17)16(9)13-6-3-7-14-15-13/h3,6-8H,2,4-5H2,1H3.
What are the key properties of 2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one?
2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one has a molecular weight of 227.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pyridazin-3-yl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 116787754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).