5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one

C13H20N4O2 — CID 72847356

IUPAC5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one
SMILESCC(C(=O)N1CCCC1)n1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H20N4O2/c1-10(13(19)16-6-4-5-7-16)17-12(18)8-11(9-14-17)15(2)3/h8-10H,4-7H2,1-3H3
InChIKeyGKPRFLYOSYEGSH-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.49
Rot. Bonds3

About 5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one

5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one (PubChem CID 72847356) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one
PubChem CID72847356
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one
SMILESCC(C(=O)N1CCCC1)n1ncc(N(C)C)cc1=O
InChIInChI=1S/C13H20N4O2/c1-10(13(19)16-6-4-5-7-16)17-12(18)8-11(9-14-17)15(2)3/h8-10H,4-7H2,1-3H3
InChIKeyGKPRFLYOSYEGSH-UHFFFAOYSA-N
XLogP0.49
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-azepan-1-yl-2-oxoethyl)-5-(dimethylamino)pyridazin-3(2H)-one
CID 72906941
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
2-(2,2-Difluoroethyl)-5-{4-[2-oxo-1-(propan-2-yl)pyrrolidin-3-yl]piperazin-1-yl}-2,3-dihydropyridazin-3-one
CID 172901162
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
2-[2-(2,5-Dihydropyrrol-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 28097404
2-(6-Oxo-4-piperidin-1-ylpyridazin-1-yl)propanamide
CID 56885798
2-[4-(4-Methyl-1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 56887383
2-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropyl-N-methylacetamide
CID 56915838
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 56917737
N~2~-ethyl-N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70704758

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one (CID 72847356) is 5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one is CC(C(=O)N1CCCC1)n1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one?
The InChIKey is GKPRFLYOSYEGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(13(19)16-6-4-5-7-16)17-12(18)8-11(9-14-17)15(2)3/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one?
5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one has a molecular weight of 264.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-one is sourced from PubChem (CID 72847356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).