5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one

C13H20N4O — CID 114395863

IUPAC5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CC1CCCN1
InChIInChI=1S/C13H20N4O/c18-13-8-12(16-6-1-2-7-16)9-15-17(13)10-11-4-3-5-14-11/h8-9,11,14H,1-7,10H2
InChIKeyLWUUOZNWERRFMV-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.60
Rot. Bonds3

About 5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one

5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one (PubChem CID 114395863) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
PubChem CID114395863
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
SMILESO=c1cc(N2CCCC2)cnn1CC1CCCN1
InChIInChI=1S/C13H20N4O/c18-13-8-12(16-6-1-2-7-16)9-15-17(13)10-11-4-3-5-14-11/h8-9,11,14H,1-7,10H2
InChIKeyLWUUOZNWERRFMV-UHFFFAOYSA-N
XLogP0.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-morpholin-4-yl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819931
2-(2-piperidin-2-ylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395871
5-(3-methoxypyrrolidin-1-yl)-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819951
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
CID 154899944
2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97194937
2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
CID 72874397
5-[ethyl(methyl)amino]-2-(piperidin-2-ylmethyl)pyridazin-3-one
CID 114395928
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-[(E)-4-chlorobut-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114394198
5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one
CID 114395972
5-morpholin-4-yl-2-(piperidin-4-ylmethyl)pyridazin-3-one
CID 114395885

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one (CID 114395863) is 5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one is O=c1cc(N2CCCC2)cnn1CC1CCCN1.
What is the InChIKey of 5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one?
The InChIKey is LWUUOZNWERRFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13-8-12(16-6-1-2-7-16)9-15-17(13)10-11-4-3-5-14-11/h8-9,11,14H,1-7,10H2.
What are the key properties of 5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one?
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one has a molecular weight of 248.33 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 114395863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).