5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one

C11H18N4O — CID 103218227

IUPAC5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESNc1cnn(CCCN2CCCC2)c(=O)c1
InChIInChI=1S/C11H18N4O/c12-10-8-11(16)15(13-9-10)7-3-6-14-4-1-2-5-14/h8-9H,1-7,12H2
InChIKeyHGLVLBPHUSFPPO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.31
Rot. Bonds4

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

5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (PubChem CID 103218227) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
PubChem CID103218227
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESNc1cnn(CCCN2CCCC2)c(=O)c1
InChIInChI=1S/C11H18N4O/c12-10-8-11(16)15(13-9-10)7-3-6-14-4-1-2-5-14/h8-9H,1-7,12H2
InChIKeyHGLVLBPHUSFPPO-UHFFFAOYSA-N
XLogP0.31
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.31
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
2-(2,2-difluoroethyl)-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 30937350
N-ethyl-N-methyl-N'-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}sulfamide
CID 70768852
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72876309
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
2-(5-fluoropentyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72895285
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103366652
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
2-Methyl-5-pyrrolidin-1-ylpyridazin-3-one
CID 101073859
5-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129514099

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (CID 103218227) is 5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is Nc1cnn(CCCN2CCCC2)c(=O)c1.
What is the InChIKey of 5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The InChIKey is HGLVLBPHUSFPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-10-8-11(16)15(13-9-10)7-3-6-14-4-1-2-5-14/h8-9H,1-7,12H2.
What are the key properties of 5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one has a molecular weight of 222.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 103218227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).