3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one

C13H11N3O2 — CID 4003676

IUPAC3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCc2ccccc21
InChIInChI=1S/C13H11N3O2/c17-12-6-5-10(14-15-12)13(18)16-8-7-9-3-1-2-4-11(9)16/h1-6H,7-8H2,(H,15,17)
InChIKeyHBNPVEJZQPVGDO-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.97
Rot. Bonds1

About 3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one

3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 4003676) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one
PubChem CID4003676
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCc2ccccc21
InChIInChI=1S/C13H11N3O2/c17-12-6-5-10(14-15-12)13(18)16-8-7-9-3-1-2-4-11(9)16/h1-6H,7-8H2,(H,15,17)
InChIKeyHBNPVEJZQPVGDO-UHFFFAOYSA-N
XLogP0.97
TPSA66.06 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-([1,1'-biphenyl]-2-yl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 4916029
5-(2,3-Dihydroindol-1-ylmethyl)-1,2-dihydropyrazol-3-one
CID 71601385
N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide
CID 52949047
6-(2-Methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one
CID 53066218
5-methyl-4-phenyl-2H-pyridazino[4,3-b]indol-3-one
CID 6320069
6-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline-1-carbonyl)pyridazin-3(2H)-one
CID 6852122
6-(4-fluorophenyl)-2-(4-(indolin-1-yl)-4-oxobutyl)pyridazin-3(2H)-one
CID 16884897
6-(4-fluorophenyl)-2-(4-(2-methylindolin-1-yl)-4-oxobutyl)pyridazin-3(2H)-one
CID 16884898
N-(2,3-dimethylphenyl)-6-oxo-1-propyl-1,6-dihydropyridazine-3-carboxamide
CID 17478646
6-(2,3-dihydro-1H-indole-1-carbonyl)-2-[(4-fluorophenyl)methyl]-2,3-dihydropyridazin-3-one
CID 27376518
N-(2-ethylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 27376564
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carboxamide
CID 42161810

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one (CID 4003676) is 3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is HBNPVEJZQPVGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-12-6-5-10(14-15-12)13(18)16-8-7-9-3-1-2-4-11(9)16/h1-6H,7-8H2,(H,15,17).
What are the key properties of 3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one?
3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 241.25 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 4003676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).