4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one

C17H19N3O2 — CID 138034840

IUPAC4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one
SMILESCCC1(CC)CN(C(=O)c2cn[nH]c(=O)c2)c2ccccc21
InChIInChI=1S/C17H19N3O2/c1-3-17(4-2)11-20(14-8-6-5-7-13(14)17)16(22)12-9-15(21)19-18-10-12/h5-10H,3-4,11H2,1-2H3,(H,19,21)
InChIKeyOBRYOZOOAUGCQS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.49
Rot. Bonds3

About 4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one

4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 138034840) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one
PubChem CID138034840
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one
SMILESCCC1(CC)CN(C(=O)c2cn[nH]c(=O)c2)c2ccccc21
InChIInChI=1S/C17H19N3O2/c1-3-17(4-2)11-20(14-8-6-5-7-13(14)17)16(22)12-9-15(21)19-18-10-12/h5-10H,3-4,11H2,1-2H3,(H,19,21)
InChIKeyOBRYOZOOAUGCQS-UHFFFAOYSA-N
XLogP2.49
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,3-trimethyl-5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
CID 9994095
1,3,3-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
CID 13785415
(4Z)-5-Methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
CID 5367004
(4Z)-5-methyl-2-phenyl-4-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one
CID 5440998
3-(4-methylpiperazin-1-yl)-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]propanamide
CID 6899705
6-(indoline-1-carbonyl)pyridazin-3(2H)-one
CID 4003676
N-[2-(2,3-dihydroindol-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45813258
3-(5-tert-butyl-2,3-dihydroindole-1-carbonyl)-1H-pyridazin-6-one
CID 53603833
2-(4-(2-methylindolin-1-yl)-4-oxobutyl)-6-(p-tolyl)pyridazin-3(2H)-one
CID 16885673
4-(3,3-diethyl-2,3-dihydro-1H-indole-1-carbonyl)-1-methyl-1,2-dihydropyridin-2-one
CID 122157543
N'-((2-Oxo-1,2-dihydro-3-quinolinyl)methylene)tetradecanohydrazide
CID 136503680
LY 186126
CID 127655

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one (CID 138034840) is 4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one is CCC1(CC)CN(C(=O)c2cn[nH]c(=O)c2)c2ccccc21.
What is the InChIKey of 4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is OBRYOZOOAUGCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-17(4-2)11-20(14-8-6-5-7-13(14)17)16(22)12-9-15(21)19-18-10-12/h5-10H,3-4,11H2,1-2H3,(H,19,21).
What are the key properties of 4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one?
4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 297.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethyl-2H-indole-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 138034840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).