2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one

C11H18N4O — CID 104920905

IUPAC2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC[C@H](N)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H18N4O/c1-9(12)8-15-11(16)6-10(7-13-15)14-4-2-3-5-14/h6-7,9H,2-5,8,12H2,1H3/t9-/m0/s1
InChIKeyHJALSWGLPUAHNJ-VIFPVBQESA-N
MW222.29 g/mol
LogP0.19
Rot. Bonds3

About 2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 104920905) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID104920905
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC[C@H](N)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C11H18N4O/c1-9(12)8-15-11(16)6-10(7-13-15)14-4-2-3-5-14/h6-7,9H,2-5,8,12H2,1H3/t9-/m0/s1
InChIKeyHJALSWGLPUAHNJ-VIFPVBQESA-N
XLogP0.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
5-(dimethylamino)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 97188705
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-[ethyl(methyl)amino]pyridazin-3-one
CID 113579289
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114393459
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-(dimethylamino)pyridazin-3-one
CID 114393489
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-(diethylamino)pyridazin-3-one
CID 114393600
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393631
5-Pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397403
5-[Methyl(propyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397731
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 2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 104920905) is 2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one is C[C@H](N)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is HJALSWGLPUAHNJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(12)8-15-11(16)6-10(7-13-15)14-4-2-3-5-14/h6-7,9H,2-5,8,12H2,1H3/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 222.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-aminopropyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 104920905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).