2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one

C10H15N3O — CID 103072315

IUPAC2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNCC)Cn1ncccc1=O
InChIInChI=1S/C10H15N3O/c1-3-11-7-9(2)8-13-10(14)5-4-6-12-13/h4-6,11H,2-3,7-8H2,1H3
InChIKeyIOFGUKOBFZHOAT-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.41
Rot. Bonds5

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

2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one (PubChem CID 103072315) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
PubChem CID103072315
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
SMILESC=C(CNCC)Cn1ncccc1=O
InChIInChI=1S/C10H15N3O/c1-3-11-7-9(2)8-13-10(14)5-4-6-12-13/h4-6,11H,2-3,7-8H2,1H3
InChIKeyIOFGUKOBFZHOAT-UHFFFAOYSA-N
XLogP0.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one?
The IUPAC name of 2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one (CID 103072315) is 2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one is C=C(CNCC)Cn1ncccc1=O.
What is the InChIKey of 2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one?
The InChIKey is IOFGUKOBFZHOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-11-7-9(2)8-13-10(14)5-4-6-12-13/h4-6,11H,2-3,7-8H2,1H3.
What are the key properties of 2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one?
2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one is sourced from PubChem (CID 103072315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).