3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one

C12H12N2O2 — CID 11769880

IUPAC3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
SMILESCOc1cccc(Cc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H12N2O2/c1-16-11-4-2-3-9(8-11)7-10-5-6-12(15)14-13-10/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyMKBHKZQIQJENAE-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.37
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one

3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one (PubChem CID 11769880) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
PubChem CID11769880
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
SMILESCOc1cccc(Cc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H12N2O2/c1-16-11-4-2-3-9(8-11)7-10-5-6-12(15)14-13-10/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyMKBHKZQIQJENAE-UHFFFAOYSA-N
XLogP1.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2-methylphenyl)-2-[3-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]acetamide
CID 10959835
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
3-[[3-[2-(4-chloro-3-methylphenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
CID 10926721
3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804369
3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one
CID 106521313
2,5-bis[(3-methoxyphenyl)methyl]pyridine
CID 91067305
3-[(3-benzyl-4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 18440180
3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one
CID 46507902
3-[(E)-2-(3-methoxyphenyl)ethenyl]-1H-pyridazin-6-one
CID 70437731
2-(3-methoxyphenyl)-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 71804998
3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one
CID 58019968
3-[(3-methoxyphenyl)methyl]pyridazine
CID 117106572

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one (CID 11769880) is 3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one is COc1cccc(Cc2ccc(=O)[nH]n2)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is MKBHKZQIQJENAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-11-4-2-3-9(8-11)7-10-5-6-12(15)14-13-10/h2-6,8H,7H2,1H3,(H,14,15).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one?
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 11769880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).