2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one

C11H17N3O2 — CID 103073141

IUPAC2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
SMILESC=C(CNCC)Cn1nc(OC)ccc1=O
InChIInChI=1S/C11H17N3O2/c1-4-12-7-9(2)8-14-11(15)6-5-10(13-14)16-3/h5-6,12H,2,4,7-8H2,1,3H3
InChIKeyTWXMZYLMAMTIQY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.42
Rot. Bonds6

About 2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one

2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one (PubChem CID 103073141) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
PubChem CID103073141
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
SMILESC=C(CNCC)Cn1nc(OC)ccc1=O
InChIInChI=1S/C11H17N3O2/c1-4-12-7-9(2)8-14-11(15)6-5-10(13-14)16-3/h5-6,12H,2,4,7-8H2,1,3H3
InChIKeyTWXMZYLMAMTIQY-UHFFFAOYSA-N
XLogP0.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.42
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

2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methoxypyridazin-3-one
CID 113807420
2-[2-(Ethylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103072315
2-[2-(Propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103072318
2-[2-(Aminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073140
6-Methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073142
6-Methoxy-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073143
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-6-methoxypyridazin-3-one
CID 103073144
2-(2-Aminoethyl)-6-methoxypyridazin-3-one
CID 105061489
2-(4-Aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
2-(4-Amino-3,3-dimethylbutyl)-6-methoxypyridazin-3-one
CID 105061503
2-(3-Aminopropyl)-6-methoxypyridazin-3-one
CID 105061504
2-(3-Amino-2-methylpropyl)-6-methoxypyridazin-3-one
CID 105061509

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one?
The IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one (CID 103073141) is 2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one?
The canonical SMILES for 2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one is C=C(CNCC)Cn1nc(OC)ccc1=O.
What is the InChIKey of 2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one?
The InChIKey is TWXMZYLMAMTIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-12-7-9(2)8-14-11(15)6-5-10(13-14)16-3/h5-6,12H,2,4,7-8H2,1,3H3.
What are the key properties of 2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one?
2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)prop-2-enyl]-6-methoxypyridazin-3-one is sourced from PubChem (CID 103073141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).