5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

C12H19N5O2 — CID 103221171

IUPAC5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESNCCNc1cnn(CC(=O)N2CCCC2)c(=O)c1
InChIInChI=1S/C12H19N5O2/c13-3-4-14-10-7-11(18)17(15-8-10)9-12(19)16-5-1-2-6-16/h7-8,14H,1-6,9,13H2
InChIKeyAIJWSYMAQWXCLA-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.76
Rot. Bonds5

About 5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (PubChem CID 103221171) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
PubChem CID103221171
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESNCCNc1cnn(CC(=O)N2CCCC2)c(=O)c1
InChIInChI=1S/C12H19N5O2/c13-3-4-14-10-7-11(18)17(15-8-10)9-12(19)16-5-1-2-6-16/h7-8,14H,1-6,9,13H2
InChIKeyAIJWSYMAQWXCLA-UHFFFAOYSA-N
XLogP-0.76
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 70733059
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531
2-(4-amino-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103218361
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103221221
2-[4-[2-aminoethyl(methyl)amino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223469
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223681
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114393459
5-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397403

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (CID 103221171) is 5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is NCCNc1cnn(CC(=O)N2CCCC2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The InChIKey is AIJWSYMAQWXCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c13-3-4-14-10-7-11(18)17(15-8-10)9-12(19)16-5-1-2-6-16/h7-8,14H,1-6,9,13H2.
What are the key properties of 5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one has a molecular weight of 265.32 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 103221171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).