2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

C13H20N4O2 — CID 103073104

IUPAC2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C13H20N4O2/c1-10(6-14)8-17-13(18)5-11(7-15-17)16-4-3-12(9-16)19-2/h5,7,12H,1,3-4,6,8-9,14H2,2H3
InChIKeyKPKXOJQIWWFXHI-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.02
Rot. Bonds5

About 2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one

2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (PubChem CID 103073104) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
PubChem CID103073104
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C13H20N4O2/c1-10(6-14)8-17-13(18)5-11(7-15-17)16-4-3-12(9-16)19-2/h5,7,12H,1,3-4,6,8-9,14H2,2H3
InChIKeyKPKXOJQIWWFXHI-UHFFFAOYSA-N
XLogP-0.02
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propoxyethyl)-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72868425
Trifluoro-[3-[4-(3-methoxypyrrolidin-1-yl)-6-oxopyridazin-1-yl]prop-1-en-2-yl]boranuide
CID 113872707
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one
CID 114393660
5-[2-(2-Aminoethyl)morpholin-4-yl]-2-(2-ethoxyethyl)pyridazin-3-one
CID 56881771
4-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]-1H-pyridazin-6-one
CID 176050808
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-propoxyacetamide
CID 70744808
2-ethoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70775668
N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide
CID 96390940
N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-propoxyacetamide
CID 96390941
2-ethoxy-N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 96405342
2-ethoxy-N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]acetamide
CID 96405343
5-(3-methoxypyrrolidin-1-yl)-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 102819950

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one (CID 103073104) is 2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is C=C(CN)Cn1ncc(N2CCC(OC)C2)cc1=O.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
The InChIKey is KPKXOJQIWWFXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(6-14)8-17-13(18)5-11(7-15-17)16-4-3-12(9-16)19-2/h5,7,12H,1,3-4,6,8-9,14H2,2H3.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one?
2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one has a molecular weight of 264.33 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)prop-2-enyl]-5-(3-methoxypyrrolidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 103073104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).