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

C14H22N4O2 — CID 103073106

IUPAC5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-11(7-15-2)9-18-14(19)6-12(8-16-18)17-5-4-13(10-17)20-3/h6,8,13,15H,1,4-5,7,9-10H2,2-3H3
InChIKeyZRWCCEAYBWHXGI-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.24
Rot. Bonds6

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

5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103073106) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103073106
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1ncc(N2CCC(OC)C2)cc1=O
InChIInChI=1S/C14H22N4O2/c1-11(7-15-2)9-18-14(19)6-12(8-16-18)17-5-4-13(10-17)20-3/h6,8,13,15H,1,4-5,7,9-10H2,2-3H3
InChIKeyZRWCCEAYBWHXGI-UHFFFAOYSA-N
XLogP0.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.24
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

N-isobutyl-1-[1-(2-methoxyethyl)-6-oxo-1,6-dihydro-4-pyridazinyl]-3-pyrrolidinecarboxamide
CID 91920254
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-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56910473
2-methyl-N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}propanamide
CID 56917408
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-propoxyacetamide
CID 70744808
N-{2-[4-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-2-morpholinyl]ethyl}-1-pyrrolidinecarboxamide
CID 70760345
2-ethoxy-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}acetamide
CID 70775668
5-morpholin-4-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72887627
N-[2-[(2R)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95725403
N-[2-[(2S)-4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]propanamide
CID 95725404

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (CID 103073106) is 5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is C=C(CNC)Cn1ncc(N2CCC(OC)C2)cc1=O.
What is the InChIKey of 5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is ZRWCCEAYBWHXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(7-15-2)9-18-14(19)6-12(8-16-18)17-5-4-13(10-17)20-3/h6,8,13,15H,1,4-5,7,9-10H2,2-3H3.
What are the key properties of 5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyrrolidin-1-yl)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).