ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate

C10H16N4O — CID 91622518

IUPACethyl (1E)-3-pyridazin-3-ylbutanehydrazonate
SMILESCCO/C(CC(C)c1cccnn1)=N/N
InChIInChI=1S/C10H16N4O/c1-3-15-10(13-11)7-8(2)9-5-4-6-12-14-9/h4-6,8H,3,7,11H2,1-2H3/b13-10+
InChIKeyGBLXTSLCCHWKLY-JLHYYAGUSA-N
MW208.26 g/mol
LogP1.28
Rot. Bonds4

About ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate

ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate (PubChem CID 91622518) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate.

Molecular Properties

Compound Nameethyl (1E)-3-pyridazin-3-ylbutanehydrazonate
PubChem CID91622518
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Nameethyl (1E)-3-pyridazin-3-ylbutanehydrazonate
SMILESCCO/C(CC(C)c1cccnn1)=N/N
InChIInChI=1S/C10H16N4O/c1-3-15-10(13-11)7-8(2)9-5-4-6-12-14-9/h4-6,8H,3,7,11H2,1-2H3/b13-10+
InChIKeyGBLXTSLCCHWKLY-JLHYYAGUSA-N
XLogP1.28
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (1E)-3-pyridazin-3-ylbutanehydrazonate?
The IUPAC name of ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate (CID 91622518) is ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate.
What is the SMILES notation for ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate?
The canonical SMILES for ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate is CCO/C(CC(C)c1cccnn1)=N/N.
What is the InChIKey of ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate?
The InChIKey is GBLXTSLCCHWKLY-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H16N4O/c1-3-15-10(13-11)7-8(2)9-5-4-6-12-14-9/h4-6,8H,3,7,11H2,1-2H3/b13-10+.
What are the key properties of ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate?
ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate has a molecular weight of 208.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-3-pyridazin-3-ylbutanehydrazonate is sourced from PubChem (CID 91622518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).