3-[methoxy(phenyl)methyl]pyridazine

C12H12N2O — CID 15684250

IUPAC3-[methoxy(phenyl)methyl]pyridazine
SMILESCOC(c1ccccc1)c1cccnn1
InChIInChI=1S/C12H12N2O/c1-15-12(10-6-3-2-4-7-10)11-8-5-9-13-14-11/h2-9,12H,1H3
InChIKeyJPRWJAQLNWHMPY-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.21
Rot. Bonds3

About 3-[methoxy(phenyl)methyl]pyridazine

3-[methoxy(phenyl)methyl]pyridazine (PubChem CID 15684250) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[methoxy(phenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-[methoxy(phenyl)methyl]pyridazine
PubChem CID15684250
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-[methoxy(phenyl)methyl]pyridazine
SMILESCOC(c1ccccc1)c1cccnn1
InChIInChI=1S/C12H12N2O/c1-15-12(10-6-3-2-4-7-10)11-8-5-9-13-14-11/h2-9,12H,1H3
InChIKeyJPRWJAQLNWHMPY-UHFFFAOYSA-N
XLogP2.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-) 3-alpha-Hydroxybenzylpyridazine
CID 10397539
Phenyl(4-pyridazinyl)methanol
CID 13205669
1-Phenyl-1-pyridazin-3-ylethanol
CID 15684261
Diphenyl(pyridazin-3-yl)methanol
CID 10264686
4-(a-Methoxybenzyl)pyridazin
CID 13205671
4-(a-Methoxy-a-methylbenzyl)pyridazin
CID 13316259
3-Methoxymethylpyridazine
CID 23080862
3-(4-Methoxyphenyl)pyridazine
CID 59738576
2-(2,4-Difluorophenyl)-2-(1-[pyridazin-3-yl]ethyl)oxirane
CID 18956522
3-(1-Ethoxyethenyl)-5-(trifluoromethyl)pyridazine
CID 169267285
3-(1-Ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine
CID 173568303
4-(1,1-Difluoroethyl)-3-(1-ethoxyethenyl)pyridazine
CID 173636493

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(phenyl)methyl]pyridazine?
The IUPAC name of 3-[methoxy(phenyl)methyl]pyridazine (CID 15684250) is 3-[methoxy(phenyl)methyl]pyridazine.
What is the SMILES notation for 3-[methoxy(phenyl)methyl]pyridazine?
The canonical SMILES for 3-[methoxy(phenyl)methyl]pyridazine is COC(c1ccccc1)c1cccnn1.
What is the InChIKey of 3-[methoxy(phenyl)methyl]pyridazine?
The InChIKey is JPRWJAQLNWHMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-15-12(10-6-3-2-4-7-10)11-8-5-9-13-14-11/h2-9,12H,1H3.
What are the key properties of 3-[methoxy(phenyl)methyl]pyridazine?
3-[methoxy(phenyl)methyl]pyridazine has a molecular weight of 200.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(phenyl)methyl]pyridazine is sourced from PubChem (CID 15684250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).