2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one

C12H18N4O2 — CID 103073055

IUPAC2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one
SMILESC=C(CN)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H18N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15-2-4-18-5-3-15/h6,8H,1-5,7,9,13H2
InChIKeyGAMDAFFRUYCFKB-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.41
Rot. Bonds4

About 2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one

2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 103073055) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID103073055
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one
SMILESC=C(CN)Cn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H18N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15-2-4-18-5-3-15/h6,8H,1-5,7,9,13H2
InChIKeyGAMDAFFRUYCFKB-UHFFFAOYSA-N
XLogP-0.41
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-5-(morpholin-4-yl)pyridazin-3(2H)-one
CID 12473911
2-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
2-Ethoxy-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924030
2-Ethoxy-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924055
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2-methylpropanamide
CID 91924078
N-{1-[1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-2,2-dimethylpropanamide
CID 91924089
4-(Aminomethyl)-2-methyl-5-(morpholin-4-yl)pyridazin-3(2h)-one
CID 46848992
5-[2-(2-aminoethyl)-4-morpholinyl]-2-(3,3,3-trifluoropropyl)-3(2H)-pyridazinone
CID 56910075
5-[(2R)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725139
5-[(2S)-2-(2-aminoethyl)morpholin-4-yl]-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 95725140
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-morpholin-4-ylpyridazin-3-one
CID 103366654
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103366656

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one (CID 103073055) is 2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one is C=C(CN)Cn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is GAMDAFFRUYCFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15-2-4-18-5-3-15/h6,8H,1-5,7,9,13H2.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one?
2-[2-(aminomethyl)prop-2-enyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 250.30 g/mol, XLogP of -0.41, 4 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-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 103073055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).