3-[methoxy-(2-methylphenyl)methyl]pyridazine

C13H14N2O — CID 21387727

IUPAC3-[methoxy-(2-methylphenyl)methyl]pyridazine
SMILESCOC(c1cccnn1)c1ccccc1C
InChIInChI=1S/C13H14N2O/c1-10-6-3-4-7-11(10)13(16-2)12-8-5-9-14-15-12/h3-9,13H,1-2H3
InChIKeyWDSHKUWHQRAWDY-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.52
Rot. Bonds3

About 3-[methoxy-(2-methylphenyl)methyl]pyridazine

3-[methoxy-(2-methylphenyl)methyl]pyridazine (PubChem CID 21387727) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[methoxy-(2-methylphenyl)methyl]pyridazine.

Molecular Properties

Compound Name3-[methoxy-(2-methylphenyl)methyl]pyridazine
PubChem CID21387727
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-[methoxy-(2-methylphenyl)methyl]pyridazine
SMILESCOC(c1cccnn1)c1ccccc1C
InChIInChI=1S/C13H14N2O/c1-10-6-3-4-7-11(10)13(16-2)12-8-5-9-14-15-12/h3-9,13H,1-2H3
InChIKeyWDSHKUWHQRAWDY-UHFFFAOYSA-N
XLogP2.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-) 3-alpha-Hydroxybenzylpyridazine
CID 10397539
3-(a-Methoxybenzyl)pyridazine
CID 15684250
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
2-(2,4-Difluorophenyl)-2-(1-[pyridazin-3-yl]ethyl)oxirane
CID 18956522
3-(1-Ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine
CID 173568303
17-Methyl-15-(trifluoromethyl)-11-oxa-3,4-diazatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene
CID 177046167
3-[Ethoxy(phenyl)methyl]pyridazine
CID 15684251
4-Benzyl-5-methoxymethylpyridazin
CID 13205685
3-[Phenoxy(phenyl)methyl]pyridazine
CID 15684249

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy-(2-methylphenyl)methyl]pyridazine?
The IUPAC name of 3-[methoxy-(2-methylphenyl)methyl]pyridazine (CID 21387727) is 3-[methoxy-(2-methylphenyl)methyl]pyridazine.
What is the SMILES notation for 3-[methoxy-(2-methylphenyl)methyl]pyridazine?
The canonical SMILES for 3-[methoxy-(2-methylphenyl)methyl]pyridazine is COC(c1cccnn1)c1ccccc1C.
What is the InChIKey of 3-[methoxy-(2-methylphenyl)methyl]pyridazine?
The InChIKey is WDSHKUWHQRAWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-6-3-4-7-11(10)13(16-2)12-8-5-9-14-15-12/h3-9,13H,1-2H3.
What are the key properties of 3-[methoxy-(2-methylphenyl)methyl]pyridazine?
3-[methoxy-(2-methylphenyl)methyl]pyridazine has a molecular weight of 214.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy-(2-methylphenyl)methyl]pyridazine is sourced from PubChem (CID 21387727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).