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

C15H24N4O — CID 103073047

IUPAC2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC=C(CNC(C)C)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H24N4O/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18-6-4-5-7-18/h8,10,12,16H,3-7,9,11H2,1-2H3
InChIKeyQLFNCFPSFWMQBY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.40
Rot. Bonds6

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

2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 103073047) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID103073047
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
SMILESC=C(CNC(C)C)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C15H24N4O/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18-6-4-5-7-18/h8,10,12,16H,3-7,9,11H2,1-2H3
InChIKeyQLFNCFPSFWMQBY-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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

1,6-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 70734562
N-ethyl-N-methyl-N'-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}sulfamide
CID 70768852
1-(6-Oxo-1,6-dihydropyridazin-4-YL)-N-(pentan-3-YL)pyrrolidine-3-carboxamide
CID 91909551
N-[3-[bis(2-methylpropyl)amino]propyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91920262
N-cyclopentyl-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196818
N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196819
4-(Aminomethyl)-2-methyl-5-(pyrrolidin-1-yl)pyridazin-3(2h)-one
CID 46848991
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
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103366652
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one (CID 103073047) is 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one is C=C(CNC(C)C)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is QLFNCFPSFWMQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)16-9-13(3)11-19-15(20)8-14(10-17-19)18-6-4-5-7-18/h8,10,12,16H,3-7,9,11H2,1-2H3.
What are the key properties of 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one?
2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 103073047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).