5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one

C14H14N2O3 — CID 11149580

IUPAC5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one
SMILESCOCn1nc(-c2ccccc2)c(C(C)=O)cc1=O
InChIInChI=1S/C14H14N2O3/c1-10(17)12-8-13(18)16(9-19-2)15-14(12)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyVOAPSCWLFKOZKZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.72
Rot. Bonds4

About 5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one

5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one (PubChem CID 11149580) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one
PubChem CID11149580
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one
SMILESCOCn1nc(-c2ccccc2)c(C(C)=O)cc1=O
InChIInChI=1S/C14H14N2O3/c1-10(17)12-8-13(18)16(9-19-2)15-14(12)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeyVOAPSCWLFKOZKZ-UHFFFAOYSA-N
XLogP1.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one?
The IUPAC name of 5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one (CID 11149580) is 5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one.
What is the SMILES notation for 5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one?
The canonical SMILES for 5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one is COCn1nc(-c2ccccc2)c(C(C)=O)cc1=O.
What is the InChIKey of 5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one?
The InChIKey is VOAPSCWLFKOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10(17)12-8-13(18)16(9-19-2)15-14(12)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of 5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one?
5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one has a molecular weight of 258.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(methoxymethyl)-6-phenylpyridazin-3-one is sourced from PubChem (CID 11149580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).