3-(1-phenoxypropyl)pyridazine

C13H14N2O — CID 67744203

IUPAC3-(1-phenoxypropyl)pyridazine
SMILESCCC(Oc1ccccc1)c1cccnn1
InChIInChI=1S/C13H14N2O/c1-2-13(12-9-6-10-14-15-12)16-11-7-4-3-5-8-11/h3-10,13H,2H2,1H3
InChIKeyJWAUGKHJSUHJQR-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.01
Rot. Bonds4

About 3-(1-phenoxypropyl)pyridazine

3-(1-phenoxypropyl)pyridazine (PubChem CID 67744203) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(1-phenoxypropyl)pyridazine.

Molecular Properties

Compound Name3-(1-phenoxypropyl)pyridazine
PubChem CID67744203
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-(1-phenoxypropyl)pyridazine
SMILESCCC(Oc1ccccc1)c1cccnn1
InChIInChI=1S/C13H14N2O/c1-2-13(12-9-6-10-14-15-12)16-11-7-4-3-5-8-11/h3-10,13H,2H2,1H3
InChIKeyJWAUGKHJSUHJQR-UHFFFAOYSA-N
XLogP3.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenoxypropyl)pyridazine?
The IUPAC name of 3-(1-phenoxypropyl)pyridazine (CID 67744203) is 3-(1-phenoxypropyl)pyridazine.
What is the SMILES notation for 3-(1-phenoxypropyl)pyridazine?
The canonical SMILES for 3-(1-phenoxypropyl)pyridazine is CCC(Oc1ccccc1)c1cccnn1.
What is the InChIKey of 3-(1-phenoxypropyl)pyridazine?
The InChIKey is JWAUGKHJSUHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-13(12-9-6-10-14-15-12)16-11-7-4-3-5-8-11/h3-10,13H,2H2,1H3.
What are the key properties of 3-(1-phenoxypropyl)pyridazine?
3-(1-phenoxypropyl)pyridazine has a molecular weight of 214.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenoxypropyl)pyridazine is sourced from PubChem (CID 67744203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).