ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate

C12H20N4O2 — CID 143410899

IUPACethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N\NC1=CCC(CC)N=N1
InChIInChI=1S/C12H20N4O2/c1-4-10-6-7-11(16-14-10)15-13-9(3)8-12(17)18-5-2/h7,10,15H,4-6,8H2,1-3H3/b13-9-
InChIKeyKZMGGTSKPCJDNJ-LCYFTJDESA-N
MW252.32 g/mol
LogP2.38
Rot. Bonds6

About ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate

ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate (PubChem CID 143410899) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate
PubChem CID143410899
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nameethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate
SMILESCCOC(=O)C/C(C)=N\NC1=CCC(CC)N=N1
InChIInChI=1S/C12H20N4O2/c1-4-10-6-7-11(16-14-10)15-13-9(3)8-12(17)18-5-2/h7,10,15H,4-6,8H2,1-3H3/b13-9-
InChIKeyKZMGGTSKPCJDNJ-LCYFTJDESA-N
XLogP2.38
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate?
The IUPAC name of ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate (CID 143410899) is ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate.
What is the SMILES notation for ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate?
The canonical SMILES for ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate is CCOC(=O)C/C(C)=N\NC1=CCC(CC)N=N1.
What is the InChIKey of ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate?
The InChIKey is KZMGGTSKPCJDNJ-LCYFTJDESA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-10-6-7-11(16-14-10)15-13-9(3)8-12(17)18-5-2/h7,10,15H,4-6,8H2,1-3H3/b13-9-.
What are the key properties of ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate?
ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate has a molecular weight of 252.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3Z)-3-[(3-ethyl-3,4-dihydropyridazin-6-yl)hydrazinylidene]butanoate is sourced from PubChem (CID 143410899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).