4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one

C14H14N2O3 — CID 12988741

IUPAC4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one
SMILESCOc1ccccc1C(=O)c1cc(C)nn(C)c1=O
InChIInChI=1S/C14H14N2O3/c1-9-8-11(14(18)16(2)15-9)13(17)10-6-4-5-7-12(10)19-3/h4-8H,1-3H3
InChIKeyAQMUFPITYMVODM-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.33
Rot. Bonds3

About 4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one

4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one (PubChem CID 12988741) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one
PubChem CID12988741
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one
SMILESCOc1ccccc1C(=O)c1cc(C)nn(C)c1=O
InChIInChI=1S/C14H14N2O3/c1-9-8-11(14(18)16(2)15-9)13(17)10-6-4-5-7-12(10)19-3/h4-8H,1-3H3
InChIKeyAQMUFPITYMVODM-UHFFFAOYSA-N
XLogP1.33
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one?
The IUPAC name of 4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one (CID 12988741) is 4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one is COc1ccccc1C(=O)c1cc(C)nn(C)c1=O.
What is the InChIKey of 4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one?
The InChIKey is AQMUFPITYMVODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-8-11(14(18)16(2)15-9)13(17)10-6-4-5-7-12(10)19-3/h4-8H,1-3H3.
What are the key properties of 4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one?
4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one has a molecular weight of 258.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 12988741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).