5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one

C13H19N3O2 — CID 12550755

IUPAC5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one
SMILESC=CCN(CC=C)c1cnn(C)c(=O)c1OCC
InChIInChI=1S/C13H19N3O2/c1-5-8-16(9-6-2)11-10-14-15(4)13(17)12(11)18-7-3/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyYDDUPEBZBLWTNW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.36
Rot. Bonds7

About 5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one

5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one (PubChem CID 12550755) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one
PubChem CID12550755
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one
SMILESC=CCN(CC=C)c1cnn(C)c(=O)c1OCC
InChIInChI=1S/C13H19N3O2/c1-5-8-16(9-6-2)11-10-14-15(4)13(17)12(11)18-7-3/h5-6,10H,1-2,7-9H2,3-4H3
InChIKeyYDDUPEBZBLWTNW-UHFFFAOYSA-N
XLogP1.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
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 5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one?
The IUPAC name of 5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one (CID 12550755) is 5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one?
The canonical SMILES for 5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one is C=CCN(CC=C)c1cnn(C)c(=O)c1OCC.
What is the InChIKey of 5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one?
The InChIKey is YDDUPEBZBLWTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-5-8-16(9-6-2)11-10-14-15(4)13(17)12(11)18-7-3/h5-6,10H,1-2,7-9H2,3-4H3.
What are the key properties of 5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one?
5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one has a molecular weight of 249.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(prop-2-enyl)amino]-4-ethoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 12550755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).