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

C10H14N4O2 — CID 103218320

IUPAC5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESNc1cnn(CC(=O)N2CCCC2)c(=O)c1
InChIInChI=1S/C10H14N4O2/c11-8-5-9(15)14(12-6-8)7-10(16)13-3-1-2-4-13/h5-6H,1-4,7,11H2
InChIKeyKXXIXTHYSDDVNZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.55
Rot. Bonds2

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

5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (PubChem CID 103218320) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
PubChem CID103218320
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
SMILESNc1cnn(CC(=O)N2CCCC2)c(=O)c1
InChIInChI=1S/C10H14N4O2/c11-8-5-9(15)14(12-6-8)7-10(16)13-3-1-2-4-13/h5-6H,1-4,7,11H2
InChIKeyKXXIXTHYSDDVNZ-UHFFFAOYSA-N
XLogP-0.55
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one
CID 28065109
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-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088765
(2R)-2-(4-amino-6-oxopyridazin-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 176088829
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
N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone
CID 171811048
2-(5-Chloro-6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 173954174
2-[2-(2,5-Dihydropyrrol-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 28097404
2-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropyl-N-methylacetamide
CID 56915838

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one (CID 103218320) is 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is Nc1cnn(CC(=O)N2CCCC2)c(=O)c1.
What is the InChIKey of 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
The InChIKey is KXXIXTHYSDDVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-8-5-9(15)14(12-6-8)7-10(16)13-3-1-2-4-13/h5-6H,1-4,7,11H2.
What are the key properties of 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one?
5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one has a molecular weight of 222.25 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 103218320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).