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

C13H20N4O2 — CID 97188792

IUPAC5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one
SMILESC[C@@H](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/t10-/m0/s1
InChIKeyGKPRFLYOSYEGSH-JTQLQIEISA-N
MW264.33 g/mol
LogP0.49
Rot. Bonds3

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

5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one (PubChem CID 97188792) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one
PubChem CID97188792
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one
SMILESC[C@@H](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/t10-/m0/s1
InChIKeyGKPRFLYOSYEGSH-JTQLQIEISA-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-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid
CID 114394028
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-oxopyridazine-3-carboxylic acid
CID 114696033
2-(4-hydroxypyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 155928497
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridazin-3-one
CID 122278751
2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 122280219
6-chloro-2-methyl-3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 114581847
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
CID 43116728
5-(dimethylamino)-2-[2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 97284720
(2S)-1-(azepan-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 51390470
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 71807486
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 62129589

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one (CID 97188792) is 5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one is C[C@@H](C(=O)N1CCCC1)n1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one?
The InChIKey is GKPRFLYOSYEGSH-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of 5-(dimethylamino)-2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one?
5-(dimethylamino)-2-[(2S)-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-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridazin-3-one is sourced from PubChem (CID 97188792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).