5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one

C15H26N4O — CID 114395947

IUPAC5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCCC2CCCN2)c(=O)c1
InChIInChI=1S/C15H26N4O/c1-3-18(4-2)14-11-15(20)19(17-12-14)10-6-8-13-7-5-9-16-13/h11-13,16H,3-10H2,1-2H3
InChIKeyPDICVXPUNPLKAA-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.62
Rot. Bonds7

About 5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one

5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one (PubChem CID 114395947) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
PubChem CID114395947
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCCC2CCCN2)c(=O)c1
InChIInChI=1S/C15H26N4O/c1-3-18(4-2)14-11-15(20)19(17-12-14)10-6-8-13-7-5-9-16-13/h11-13,16H,3-10H2,1-2H3
InChIKeyPDICVXPUNPLKAA-UHFFFAOYSA-N
XLogP1.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one
CID 114395884
5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
CID 114395928
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114397665
3,5-diethyl-1-(3-pyrrolidin-2-ylpropyl)pyrazole
CID 82694533
2-(2-piperidin-2-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395871
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
1-(3-pyrrolidin-2-ylpropyl)indazole
CID 62480133
2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one
CID 114397134
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one (CID 114395947) is 5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one is CCN(CC)c1cnn(CCCC2CCCN2)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one?
The InChIKey is PDICVXPUNPLKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-18(4-2)14-11-15(20)19(17-12-14)10-6-8-13-7-5-9-16-13/h11-13,16H,3-10H2,1-2H3.
What are the key properties of 5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one?
5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one has a molecular weight of 278.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 114395947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).