5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one

C13H22N4O — CID 72846983

IUPAC5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESCCN1CCCC1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H22N4O/c1-4-16-7-5-6-11(16)10-17-13(18)8-12(9-14-17)15(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyMODMODOKSZBHSC-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.79
Rot. Bonds4

About 5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one

5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one (PubChem CID 72846983) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one
PubChem CID72846983
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one
SMILESCCN1CCCC1Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H22N4O/c1-4-16-7-5-6-11(16)10-17-13(18)8-12(9-14-17)15(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyMODMODOKSZBHSC-UHFFFAOYSA-N
XLogP0.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72895285
5-(4-methyl-1-piperazinyl)-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-3(2H)-pyridazinone
CID 28357548
2-Methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
5-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129514099
2-[2-(2,5-Dihydropyrrol-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 28097404
5-(dimethylamino)-2-(1-methyl-2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3(2H)-one
CID 72847356
2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72869617
2-[(1-ethylpyrrolidin-2-yl)methyl]-5-(4-methyl-1,4-diazepan-1-yl)pyridazin-3(2H)-one
CID 72874747
2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72908696
2-methyl-5-{4-[(2-methyl-5-oxopyrrolidin-1-yl)acetyl]piperazin-1-yl}pyridazin-3(2H)-one
CID 72917197
2-[2-(1-methylpiperidin-2-yl)ethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72929176

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one (CID 72846983) is 5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one is CCN1CCCC1Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one?
The InChIKey is MODMODOKSZBHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-16-7-5-6-11(16)10-17-13(18)8-12(9-14-17)15(2)3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one?
5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one has a molecular weight of 250.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 72846983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).