6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

C10H15N3O2 — CID 103073142

IUPAC6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1nc(OC)ccc1=O
InChIInChI=1S/C10H15N3O2/c1-8(6-11-2)7-13-10(14)5-4-9(12-13)15-3/h4-5,11H,1,6-7H2,2-3H3
InChIKeyJUZVVHMJLJFOMU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.03
Rot. Bonds5

About 6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one

6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103073142) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103073142
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNC)Cn1nc(OC)ccc1=O
InChIInChI=1S/C10H15N3O2/c1-8(6-11-2)7-13-10(14)5-4-9(12-13)15-3/h4-5,11H,1,6-7H2,2-3H3
InChIKeyJUZVVHMJLJFOMU-UHFFFAOYSA-N
XLogP0.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one (CID 103073142) is 6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is C=C(CNC)Cn1nc(OC)ccc1=O.
What is the InChIKey of 6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is JUZVVHMJLJFOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(6-11-2)7-13-10(14)5-4-9(12-13)15-3/h4-5,11H,1,6-7H2,2-3H3.
What are the key properties of 6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one?
6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 209.25 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103073142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).