3-[ethoxy(phenyl)methyl]pyridazine

C13H14N2O — CID 15684251

IUPAC3-[ethoxy(phenyl)methyl]pyridazine
SMILESCCOC(c1ccccc1)c1cccnn1
InChIInChI=1S/C13H14N2O/c1-2-16-13(11-7-4-3-5-8-11)12-9-6-10-14-15-12/h3-10,13H,2H2,1H3
InChIKeyTUHWUSSIQXSIFN-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.60
Rot. Bonds4

About 3-[ethoxy(phenyl)methyl]pyridazine

3-[ethoxy(phenyl)methyl]pyridazine (PubChem CID 15684251) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[ethoxy(phenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-[ethoxy(phenyl)methyl]pyridazine
PubChem CID15684251
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-[ethoxy(phenyl)methyl]pyridazine
SMILESCCOC(c1ccccc1)c1cccnn1
InChIInChI=1S/C13H14N2O/c1-2-16-13(11-7-4-3-5-8-11)12-9-6-10-14-15-12/h3-10,13H,2H2,1H3
InChIKeyTUHWUSSIQXSIFN-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy(phenyl)methyl]pyridazine?
The IUPAC name of 3-[ethoxy(phenyl)methyl]pyridazine (CID 15684251) is 3-[ethoxy(phenyl)methyl]pyridazine.
What is the SMILES notation for 3-[ethoxy(phenyl)methyl]pyridazine?
The canonical SMILES for 3-[ethoxy(phenyl)methyl]pyridazine is CCOC(c1ccccc1)c1cccnn1.
What is the InChIKey of 3-[ethoxy(phenyl)methyl]pyridazine?
The InChIKey is TUHWUSSIQXSIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-16-13(11-7-4-3-5-8-11)12-9-6-10-14-15-12/h3-10,13H,2H2,1H3.
What are the key properties of 3-[ethoxy(phenyl)methyl]pyridazine?
3-[ethoxy(phenyl)methyl]pyridazine has a molecular weight of 214.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy(phenyl)methyl]pyridazine is sourced from PubChem (CID 15684251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).