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

C13H23N5O — CID 103221032

IUPAC5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESNCCNc1cnn(CCCN2CCCC2)c(=O)c1
InChIInChI=1S/C13H23N5O/c14-4-5-15-12-10-13(19)18(16-11-12)9-3-8-17-6-1-2-7-17/h10-11,15H,1-9,14H2
InChIKeySXYUTIVYJDCIEI-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.10
Rot. Bonds7

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

5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (PubChem CID 103221032) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
PubChem CID103221032
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESNCCNc1cnn(CCCN2CCCC2)c(=O)c1
InChIInChI=1S/C13H23N5O/c14-4-5-15-12-10-13(19)18(16-11-12)9-3-8-17-6-1-2-7-17/h10-11,15H,1-9,14H2
InChIKeySXYUTIVYJDCIEI-UHFFFAOYSA-N
XLogP0.10
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-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-[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
5-[Methyl(propyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397731
5-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129514099
[(3R)-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid
CID 156534107
[1-(6-oxo-1H-pyridazin-4-yl)pyrrolidin-3-yl]carbamic acid
CID 156534108
N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone
CID 171811048
5-(4-methyl-1,4-diazepan-1-yl)-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-one
CID 29022847

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (CID 103221032) is 5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is NCCNc1cnn(CCCN2CCCC2)c(=O)c1.
What is the InChIKey of 5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The InChIKey is SXYUTIVYJDCIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c14-4-5-15-12-10-13(19)18(16-11-12)9-3-8-17-6-1-2-7-17/h10-11,15H,1-9,14H2.
What are the key properties of 5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one has a molecular weight of 265.36 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 103221032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).