5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

C13H21N5O2 — CID 103223438

IUPAC5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CC(=O)N2CCCC2)c(=O)c1
InChIInChI=1S/C13H21N5O2/c1-16(7-4-14)11-8-12(19)18(15-9-11)10-13(20)17-5-2-3-6-17/h8-9H,2-7,10,14H2,1H3
InChIKeyNFGPXRWZBKHYHQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.74
Rot. Bonds5

About 5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (PubChem CID 103223438) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
PubChem CID103223438
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESCN(CCN)c1cnn(CC(=O)N2CCCC2)c(=O)c1
InChIInChI=1S/C13H21N5O2/c1-16(7-4-14)11-8-12(19)18(15-9-11)10-13(20)17-5-2-3-6-17/h8-9H,2-7,10,14H2,1H3
InChIKeyNFGPXRWZBKHYHQ-UHFFFAOYSA-N
XLogP-0.74
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
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
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
2-[6-oxo-4-(propylamino)pyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103220293
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
5-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129514099

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (CID 103223438) is 5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is CN(CCN)c1cnn(CC(=O)N2CCCC2)c(=O)c1.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The InChIKey is NFGPXRWZBKHYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-16(7-4-14)11-8-12(19)18(15-9-11)10-13(20)17-5-2-3-6-17/h8-9H,2-7,10,14H2,1H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one has a molecular weight of 279.34 g/mol, XLogP of -0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 103223438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).