2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one

C15H22N4O — CID 103073048

IUPAC2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC=C(CNC1CC1)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H22N4O/c1-12(9-16-13-4-5-13)11-19-15(20)8-14(10-17-19)18-6-2-3-7-18/h8,10,13,16H,1-7,9,11H2
InChIKeyHBFBUOOOSGSKBV-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.15
Rot. Bonds6

About 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one

2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 103073048) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID103073048
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC=C(CNC1CC1)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H22N4O/c1-12(9-16-13-4-5-13)11-19-15(20)8-14(10-17-19)18-6-2-3-7-18/h8,10,13,16H,1-7,9,11H2
InChIKeyHBFBUOOOSGSKBV-UHFFFAOYSA-N
XLogP1.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196819
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
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
1-amino-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}cyclopropanecarboxamide
CID 70717343
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
N~2~-isopropyl-N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70730789

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 103073048) is 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one is C=C(CNC1CC1)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is HBFBUOOOSGSKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12(9-16-13-4-5-13)11-19-15(20)8-14(10-17-19)18-6-2-3-7-18/h8,10,13,16H,1-7,9,11H2.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 274.37 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 103073048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).