(Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine

C17H18N4O — CID 143616947

IUPAC(Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine
SMILESC=C/N=C(\C=C/C)c1nnc(-c2ccccn2)cc1OCC
InChIInChI=1S/C17H18N4O/c1-4-9-14(18-5-2)17-16(22-6-3)12-15(20-21-17)13-10-7-8-11-19-13/h4-5,7-12H,2,6H2,1,3H3/b9-4-,18-14+
InChIKeyLXMZFKJNFGFKCY-LRQHLHPYSA-N
MW294.36 g/mol
LogP3.45
Rot. Bonds6

About (Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine

(Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine (PubChem CID 143616947) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is (Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine
PubChem CID143616947
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name(Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine
SMILESC=C/N=C(\C=C/C)c1nnc(-c2ccccn2)cc1OCC
InChIInChI=1S/C17H18N4O/c1-4-9-14(18-5-2)17-16(22-6-3)12-15(20-21-17)13-10-7-8-11-19-13/h4-5,7-12H,2,6H2,1,3H3/b9-4-,18-14+
InChIKeyLXMZFKJNFGFKCY-LRQHLHPYSA-N
XLogP3.45
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethenyl-1-phenylbut-2-en-1-imine
CID 130193571
propane;2-pyridin-2-ylpyridine
CID 158168510
2-(3-ethoxynaphthalen-2-yl)pyridine
CID 132851347
4-[3,5-bis(3,6-dipyridin-2-ylpyridazin-4-yl)phenyl]-3,6-dipyridin-2-ylpyridazine;ethoxyethane
CID 139194398
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-(5-ethoxy-4-ethyl-2-methoxyphenyl)pyridine
CID 175907027
5-[(E)-1-fluoroprop-1-enyl]-3-pyridin-2-yl-1,2-oxazole
CID 173227081
ethane;(Z)-N-[(Z)-prop-1-enyl]-1-pyridin-2-ylbut-2-en-1-imine
CID 142201812
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine?
The IUPAC name of (Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine (CID 143616947) is (Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine is C=C/N=C(\C=C/C)c1nnc(-c2ccccn2)cc1OCC.
What is the InChIKey of (Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine?
The InChIKey is LXMZFKJNFGFKCY-LRQHLHPYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-4-9-14(18-5-2)17-16(22-6-3)12-15(20-21-17)13-10-7-8-11-19-13/h4-5,7-12H,2,6H2,1,3H3/b9-4-,18-14+.
What are the key properties of (Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine?
(Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine has a molecular weight of 294.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-1-(4-ethoxy-6-pyridin-2-ylpyridazin-3-yl)but-2-en-1-imine is sourced from PubChem (CID 143616947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).