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

C13H13ClN2O2 — CID 106519004

IUPAC3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCOc1cc(-c2n[nH]c(=O)c(C)c2C)ccc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-7-8(2)13(17)16-15-12(7)9-4-5-10(14)11(6-9)18-3/h4-6H,1-3H3,(H,16,17)
InChIKeyUQJYTLXQUNLGHD-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.72
Rot. Bonds2

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

3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one (PubChem CID 106519004) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
PubChem CID106519004
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCOc1cc(-c2n[nH]c(=O)c(C)c2C)ccc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-7-8(2)13(17)16-15-12(7)9-4-5-10(14)11(6-9)18-3/h4-6H,1-3H3,(H,16,17)
InChIKeyUQJYTLXQUNLGHD-UHFFFAOYSA-N
XLogP2.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one (CID 106519004) is 3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one is COc1cc(-c2n[nH]c(=O)c(C)c2C)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The InChIKey is UQJYTLXQUNLGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-8(2)13(17)16-15-12(7)9-4-5-10(14)11(6-9)18-3/h4-6H,1-3H3,(H,16,17).
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one?
3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one has a molecular weight of 264.71 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 106519004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).