2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide

C13H17N3O — CID 123877534

IUPAC2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide
SMILESC=CC(C(=O)N(CC)c1ccnnc1)=C(C)C
InChIInChI=1S/C13H17N3O/c1-5-12(10(3)4)13(17)16(6-2)11-7-8-14-15-9-11/h5,7-9H,1,6H2,2-4H3
InChIKeyFJKYOEXXYPIPRH-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.35
Rot. Bonds4

About 2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide

2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide (PubChem CID 123877534) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide.

Molecular Properties

Compound Name2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide
PubChem CID123877534
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide
SMILESC=CC(C(=O)N(CC)c1ccnnc1)=C(C)C
InChIInChI=1S/C13H17N3O/c1-5-12(10(3)4)13(17)16(6-2)11-7-8-14-15-9-11/h5,7-9H,1,6H2,2-4H3
InChIKeyFJKYOEXXYPIPRH-UHFFFAOYSA-N
XLogP2.35
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Propanamide, 2,2-dimethyl-N-4-pyridazinyl-
CID 10012501
N-4-Pyridazinylacetamide
CID 23273413
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CID 54562937
2-methyl-N-pyridazin-4-ylprop-2-enamide
CID 59502647
N-pyridazin-4-ylprop-2-enamide
CID 59502777
2-methyl-N-pyridazin-4-ylpropanamide
CID 59729258
1-Methylpyrido[2,3-d]pyridazin-2-one
CID 67003493
tert-butyl N-cyclopropyl-N-pyridazin-4-ylcarbamate
CID 67382662
2-pyridazin-4-yl-4H-pyrazol-3-one
CID 70107615
4-pyridazin-4-yl-3H-1,4-benzodiazepin-2-one
CID 71284696
1-Pyridazin-4-ylazetidine-3-carboxamide
CID 90012605
N-pyridazin-4-ylcyclopropanecarboxamide
CID 90198515

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide?
The IUPAC name of 2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide (CID 123877534) is 2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide.
What is the SMILES notation for 2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide?
The canonical SMILES for 2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide is C=CC(C(=O)N(CC)c1ccnnc1)=C(C)C.
What is the InChIKey of 2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide?
The InChIKey is FJKYOEXXYPIPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-5-12(10(3)4)13(17)16(6-2)11-7-8-14-15-9-11/h5,7-9H,1,6H2,2-4H3.
What are the key properties of 2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide?
2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide has a molecular weight of 231.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-ethyl-3-methyl-N-pyridazin-4-ylbut-2-enamide is sourced from PubChem (CID 123877534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).