(E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine

C19H18N6O — CID 58190492

IUPAC(E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine
SMILESCCO/N=C(\C)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIInChI=1S/C19H18N6O/c1-3-26-24-13(2)16-8-9-18-21-22-19(25(18)23-16)12-14-6-7-17-15(11-14)5-4-10-20-17/h4-11H,3,12H2,1-2H3/b24-13+
InChIKeyJLJSJVGAIRCSCT-ZMOGYAJESA-N
MW346.39 g/mol
LogP3.02
Rot. Bonds5

About (E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine

(E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine (PubChem CID 58190492) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is (E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine.

Molecular Properties

Compound Name(E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine
PubChem CID58190492
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name(E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine
SMILESCCO/N=C(\C)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1
InChIInChI=1S/C19H18N6O/c1-3-26-24-13(2)16-8-9-18-21-22-19(25(18)23-16)12-14-6-7-17-15(11-14)5-4-10-20-17/h4-11H,3,12H2,1-2H3/b24-13+
InChIKeyJLJSJVGAIRCSCT-ZMOGYAJESA-N
XLogP3.02
TPSA77.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine?
The IUPAC name of (E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine (CID 58190492) is (E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine.
What is the SMILES notation for (E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine?
The canonical SMILES for (E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine is CCO/N=C(\C)c1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.
What is the InChIKey of (E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine?
The InChIKey is JLJSJVGAIRCSCT-ZMOGYAJESA-N. The full InChI is InChI=1S/C19H18N6O/c1-3-26-24-13(2)16-8-9-18-21-22-19(25(18)23-16)12-14-6-7-17-15(11-14)5-4-10-20-17/h4-11H,3,12H2,1-2H3/b24-13+.
What are the key properties of (E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine?
(E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine has a molecular weight of 346.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine is sourced from PubChem (CID 58190492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).