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

C15H24N4O — CID 103220475

IUPAC5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CCCN1CCCC1
InChIInChI=1S/C15H24N4O/c20-15-11-14(17-13-5-3-6-13)12-16-19(15)10-4-9-18-7-1-2-8-18/h11-13,17H,1-10H2
InChIKeyJHKAHIGYLWXGCT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.69
Rot. Bonds6

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

5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (PubChem CID 103220475) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
PubChem CID103220475
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one
SMILESO=c1cc(NC2CCC2)cnn1CCCN1CCCC1
InChIInChI=1S/C15H24N4O/c20-15-11-14(17-13-5-3-6-13)12-16-19(15)10-4-9-18-7-1-2-8-18/h11-13,17H,1-10H2
InChIKeyJHKAHIGYLWXGCT-UHFFFAOYSA-N
XLogP1.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72876309
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-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129514099
N-(6-oxo-1H-pyridazin-4-yl)acetamide;1-pyrrolidin-1-ylethanone
CID 171811048
5-(1-piperazinyl)-2-(3-pyrrolidinylmethyl)-3(2H)-pyridazinone bis(trifluoroacetate)
CID 45218638
3-[4-[3-(aminomethyl)-1-pyrrolidinyl]-6-oxo-1(6H)-pyridazinyl]-N-isopropylpropanamide
CID 56892430
N~3~-acetyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70711027
N~3~-isopropyl-N~3~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-beta-alaninamide
CID 70717449
5-(3-{[(1-ethylpropyl)amino]methyl}-1-pyrrolidinyl)-2-methyl-3(2H)-pyridazinone
CID 70720970
2,2-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}propanamide
CID 70771419

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The IUPAC name of 5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one (CID 103220475) is 5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is O=c1cc(NC2CCC2)cnn1CCCN1CCCC1.
What is the InChIKey of 5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
The InChIKey is JHKAHIGYLWXGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-15-11-14(17-13-5-3-6-13)12-16-19(15)10-4-9-18-7-1-2-8-18/h11-13,17H,1-10H2.
What are the key properties of 5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one?
5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylamino)-2-(3-pyrrolidin-1-ylpropyl)pyridazin-3-one is sourced from PubChem (CID 103220475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).