3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one

C14H16N2O3 — CID 106519195

IUPAC3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCOc1cc(OC)cc(-c2n[nH]c(=O)c(C)c2C)c1
InChIInChI=1S/C14H16N2O3/c1-8-9(2)14(17)16-15-13(8)10-5-11(18-3)7-12(6-10)19-4/h5-7H,1-4H3,(H,16,17)
InChIKeyVKXOHKIZMGSYIL-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.07
Rot. Bonds3

About 3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one

3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one (PubChem CID 106519195) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
PubChem CID106519195
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCOc1cc(OC)cc(-c2n[nH]c(=O)c(C)c2C)c1
InChIInChI=1S/C14H16N2O3/c1-8-9(2)14(17)16-15-13(8)10-5-11(18-3)7-12(6-10)19-4/h5-7H,1-4H3,(H,16,17)
InChIKeyVKXOHKIZMGSYIL-UHFFFAOYSA-N
XLogP2.07
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one (CID 106519195) is 3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one is COc1cc(OC)cc(-c2n[nH]c(=O)c(C)c2C)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The InChIKey is VKXOHKIZMGSYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-9(2)14(17)16-15-13(8)10-5-11(18-3)7-12(6-10)19-4/h5-7H,1-4H3,(H,16,17).
What are the key properties of 3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one has a molecular weight of 260.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 106519195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).