2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

C12H20N4O2 — CID 103073070

IUPAC2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C12H20N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15(2)4-5-18-3/h6,8H,1,4-5,7,9,13H2,2-3H3
InChIKeyUHBXNMXJVSDBQF-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.16
Rot. Bonds7

About 2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one

2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (PubChem CID 103073070) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
PubChem CID103073070
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
SMILESC=C(CN)Cn1ncc(N(C)CCOC)cc1=O
InChIInChI=1S/C12H20N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15(2)4-5-18-3/h6,8H,1,4-5,7,9,13H2,2-3H3
InChIKeyUHBXNMXJVSDBQF-UHFFFAOYSA-N
XLogP-0.16
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.16
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-(3-Methylbut-2-enyl)-5-morpholin-4-ylpyridazin-3-one
CID 72849993
4-(Aminomethyl)-2-methyl-5-(morpholin-4-yl)pyridazin-3(2h)-one
CID 46848992
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
5-(dimethylamino)-2-(2-propoxyethyl)-3(2H)-pyridazinone
CID 28732206
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(2-methoxyethyl)-N-methylacetamide
CID 72875705
N-{1-[1-(2-Methoxyethyl)-6-oxo-16-dihydropyridazin-4-YL]piperidin-4-YL}propanamide
CID 91903409
2-[2-(Chloromethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103065885
2-[2-(Aminomethyl)prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
CID 103073049
5-(Dimethylamino)-2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073050
5-(Dimethylamino)-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073051
2-[2-[(Tert-butylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
CID 103073052

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one (CID 103073070) is 2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one is C=C(CN)Cn1ncc(N(C)CCOC)cc1=O.
What is the InChIKey of 2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
The InChIKey is UHBXNMXJVSDBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-10(7-13)9-16-12(17)6-11(8-14-16)15(2)4-5-18-3/h6,8H,1,4-5,7,9,13H2,2-3H3.
What are the key properties of 2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one?
2-[2-(aminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one has a molecular weight of 252.32 g/mol, XLogP of -0.16, 7 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-[2-methoxyethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 103073070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).