4-[methoxy(phenyl)methyl]pyridazine

C12H12N2O — CID 13205671

IUPAC4-[methoxy(phenyl)methyl]pyridazine
SMILESCOC(c1ccccc1)c1ccnnc1
InChIInChI=1S/C12H12N2O/c1-15-12(10-5-3-2-4-6-10)11-7-8-13-14-9-11/h2-9,12H,1H3
InChIKeyALDDUWXPTGAOPP-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.21
Rot. Bonds3

About 4-[methoxy(phenyl)methyl]pyridazine

4-[methoxy(phenyl)methyl]pyridazine (PubChem CID 13205671) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-[methoxy(phenyl)methyl]pyridazine.

Molecular Properties

Compound Name4-[methoxy(phenyl)methyl]pyridazine
PubChem CID13205671
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-[methoxy(phenyl)methyl]pyridazine
SMILESCOC(c1ccccc1)c1ccnnc1
InChIInChI=1S/C12H12N2O/c1-15-12(10-5-3-2-4-6-10)11-7-8-13-14-9-11/h2-9,12H,1H3
InChIKeyALDDUWXPTGAOPP-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
4-(1-Methoxyethyl)pyridazin
CID 13205684
3-(a-Methoxybenzyl)pyridazine
CID 15684250
4-(a-Methoxy-a-methylbenzyl)pyridazin
CID 13316259
5-Methyl-3-[(3-methylphenyl)methoxy]pyridazine
CID 121581549
2-(2,4-Difluorophenyl)-2-(1-[pyridazin-3-yl]ethyl)oxirane
CID 18956522
3-Methoxy-5-(2,4,6-trifluorophenyl)pyridazine
CID 90904981
3-[Ethoxy(phenyl)methyl]pyridazine
CID 15684251
Diphenyl(pyridazin-4-yl)methanol
CID 11391365
(5-Methyl-4-pyridazinyl)phenylmethanol
CID 13205673
1-Phenyl-(4-pyridazinyl)ethanol
CID 13205675

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(phenyl)methyl]pyridazine?
The IUPAC name of 4-[methoxy(phenyl)methyl]pyridazine (CID 13205671) is 4-[methoxy(phenyl)methyl]pyridazine.
What is the SMILES notation for 4-[methoxy(phenyl)methyl]pyridazine?
The canonical SMILES for 4-[methoxy(phenyl)methyl]pyridazine is COC(c1ccccc1)c1ccnnc1.
What is the InChIKey of 4-[methoxy(phenyl)methyl]pyridazine?
The InChIKey is ALDDUWXPTGAOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-15-12(10-5-3-2-4-6-10)11-7-8-13-14-9-11/h2-9,12H,1H3.
What are the key properties of 4-[methoxy(phenyl)methyl]pyridazine?
4-[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 4-[methoxy(phenyl)methyl]pyridazine is sourced from PubChem (CID 13205671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).