2-benzyl-6-methoxy-4-methylpyridazin-3-one

C13H14N2O2 — CID 91168973

IUPAC2-benzyl-6-methoxy-4-methylpyridazin-3-one
SMILESCOc1cc(C)c(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C13H14N2O2/c1-10-8-12(17-2)14-15(13(10)16)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyXVEIZILOKLSGPU-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.61
Rot. Bonds3

About 2-benzyl-6-methoxy-4-methylpyridazin-3-one

2-benzyl-6-methoxy-4-methylpyridazin-3-one (PubChem CID 91168973) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-benzyl-6-methoxy-4-methylpyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-methoxy-4-methylpyridazin-3-one
PubChem CID91168973
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-benzyl-6-methoxy-4-methylpyridazin-3-one
SMILESCOc1cc(C)c(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C13H14N2O2/c1-10-8-12(17-2)14-15(13(10)16)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyXVEIZILOKLSGPU-UHFFFAOYSA-N
XLogP1.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrophthalazin-1-one
CID 11003326
2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one
CID 76683951
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde
CID 145260273
2-benzyl-5-methoxy-3-oxopyridazine-4-carbonitrile
CID 44604082
2-benzyl-6-methyl-4-methylsulfonyl-5-phenylpyridazin-3-one
CID 118977463
(2-methoxy-4-methylphenyl) 3-benzyl-4-oxophthalazine-1-carboxylate
CID 8862426
2-benzyl-6-methylchromeno[2,3-c]pyrazol-3-one
CID 46329177
2-benzyl-4-benzylsulfanyl-5-methoxypyridazin-3-one
CID 851026
2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one
CID 7672212
2-benzyl-4-(3-chlorophenyl)-5-methoxypyridazin-3-one
CID 56927430
2-benzyl-4-methyl-6-phenyl-1,2,4-triazine-3,5-dione
CID 171781819

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-methoxy-4-methylpyridazin-3-one?
The IUPAC name of 2-benzyl-6-methoxy-4-methylpyridazin-3-one (CID 91168973) is 2-benzyl-6-methoxy-4-methylpyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-methoxy-4-methylpyridazin-3-one?
The canonical SMILES for 2-benzyl-6-methoxy-4-methylpyridazin-3-one is COc1cc(C)c(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-6-methoxy-4-methylpyridazin-3-one?
The InChIKey is XVEIZILOKLSGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-8-12(17-2)14-15(13(10)16)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-benzyl-6-methoxy-4-methylpyridazin-3-one?
2-benzyl-6-methoxy-4-methylpyridazin-3-one has a molecular weight of 230.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-methoxy-4-methylpyridazin-3-one is sourced from PubChem (CID 91168973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).