3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde

C15H15N3O2 — CID 121283986

IUPAC3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde
SMILESCN1CC(Oc2cnnc(-c3cccc(C=O)c3)c2)C1
InChIInChI=1S/C15H15N3O2/c1-18-8-14(9-18)20-13-6-15(17-16-7-13)12-4-2-3-11(5-12)10-19/h2-7,10,14H,8-9H2,1H3
InChIKeyDBOVICJHQNVPNT-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.65
Rot. Bonds4

About 3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde

3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde (PubChem CID 121283986) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde.

Molecular Properties

Compound Name3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde
PubChem CID121283986
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde
SMILESCN1CC(Oc2cnnc(-c3cccc(C=O)c3)c2)C1
InChIInChI=1S/C15H15N3O2/c1-18-8-14(9-18)20-13-6-15(17-16-7-13)12-4-2-3-11(5-12)10-19/h2-7,10,14H,8-9H2,1H3
InChIKeyDBOVICJHQNVPNT-UHFFFAOYSA-N
XLogP1.65
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde?
The IUPAC name of 3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde (CID 121283986) is 3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde.
What is the SMILES notation for 3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde?
The canonical SMILES for 3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde is CN1CC(Oc2cnnc(-c3cccc(C=O)c3)c2)C1.
What is the InChIKey of 3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde?
The InChIKey is DBOVICJHQNVPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18-8-14(9-18)20-13-6-15(17-16-7-13)12-4-2-3-11(5-12)10-19/h2-7,10,14H,8-9H2,1H3.
What are the key properties of 3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde?
3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde has a molecular weight of 269.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde is sourced from PubChem (CID 121283986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).