(E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine

C15H17N3O — CID 10753511

IUPAC(E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine
SMILESCCCCO/N=C(\c1ccccc1)c1cccnn1
InChIInChI=1S/C15H17N3O/c1-2-3-12-19-18-15(13-8-5-4-6-9-13)14-10-7-11-16-17-14/h4-11H,2-3,12H2,1H3/b18-15+
InChIKeyGFDHOPGWWRUHOJ-OBGWFSINSA-N
MW255.32 g/mol
LogP3.05
Rot. Bonds6

About (E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine

(E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine (PubChem CID 10753511) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine.

Molecular Properties

Compound Name(E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine
PubChem CID10753511
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine
SMILESCCCCO/N=C(\c1ccccc1)c1cccnn1
InChIInChI=1S/C15H17N3O/c1-2-3-12-19-18-15(13-8-5-4-6-9-13)14-10-7-11-16-17-14/h4-11H,2-3,12H2,1H3/b18-15+
InChIKeyGFDHOPGWWRUHOJ-OBGWFSINSA-N
XLogP3.05
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-[phenyl(pyridazin-3-yl)methylidene]amino]oxybutanoic acid
CID 10684529
(E)-1-phenyl-1-pyridazin-3-yl-N-[6-(2H-tetrazol-5-yl)hexoxy]methanimine
CID 10712908
5-[(Z)-[pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoic acid
CID 23276767
N,N-diethyl-2-[[phenyl(pyridin-2-yl)methylidene]amino]oxyethanamine
CID 26478
ethyl 5-[(E)-[pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]amino]oxypentanoate
CID 10548707
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanoate
CID 10084390
ethyl 4-[(E)-[phenyl(pyrimidin-4-yl)methylidene]amino]oxybutanoate
CID 10495395
4-[(E)-[phenyl(pyrimidin-4-yl)methylidene]amino]oxybutanoic acid
CID 10731842
[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] N-octylcarbamate
CID 19918393
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
N-(2-phenoxyethoxy)-1-phenyl-1-pyridin-4-ylmethanimine
CID 173361328
N-pentoxybenzenecarboximidoyl cyanide
CID 175114895

Frequently Asked Questions

What is the IUPAC name of (E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine?
The IUPAC name of (E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine (CID 10753511) is (E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine.
What is the SMILES notation for (E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine?
The canonical SMILES for (E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine is CCCCO/N=C(\c1ccccc1)c1cccnn1.
What is the InChIKey of (E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine?
The InChIKey is GFDHOPGWWRUHOJ-OBGWFSINSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-3-12-19-18-15(13-8-5-4-6-9-13)14-10-7-11-16-17-14/h4-11H,2-3,12H2,1H3/b18-15+.
What are the key properties of (E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine?
(E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine has a molecular weight of 255.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butoxy-1-phenyl-1-pyridazin-3-ylmethanimine is sourced from PubChem (CID 10753511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).