3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile

C14H12ClN3O — CID 107657775

IUPAC3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1Oc1nnc(Cl)c(C)c1C
InChIInChI=1S/C14H12ClN3O/c1-8-4-5-11(7-16)6-12(8)19-14-10(3)9(2)13(15)17-18-14/h4-6H,1-3H3
InChIKeyGAKSQPHCUWAMOM-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.72
Rot. Bonds2

About 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile

3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile (PubChem CID 107657775) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile
PubChem CID107657775
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1Oc1nnc(Cl)c(C)c1C
InChIInChI=1S/C14H12ClN3O/c1-8-4-5-11(7-16)6-12(8)19-14-10(3)9(2)13(15)17-18-14/h4-6H,1-3H3
InChIKeyGAKSQPHCUWAMOM-UHFFFAOYSA-N
XLogP3.72
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-3-pyrimidin-2-yloxybenzonitrile
CID 70098309
3-(6-chloropyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657769
3-aminooxy-4-methylbenzonitrile
CID 130500377
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657756
3-[2-chloro-4-(chloromethyl)phenoxy]-4-methylbenzonitrile
CID 107659190
3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile
CID 107662427
3-[4-(chloromethyl)phenoxy]-4-methylbenzonitrile
CID 107659195
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
4-methyl-3-propan-2-yloxybenzonitrile
CID 18424073
3-[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]-4-methylbenzonitrile
CID 107658696
3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107655267
4-amino-3-(2,5-dimethylphenoxy)benzonitrile
CID 113444292

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile?
The IUPAC name of 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile (CID 107657775) is 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile.
What is the SMILES notation for 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile?
The canonical SMILES for 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile is Cc1ccc(C#N)cc1Oc1nnc(Cl)c(C)c1C.
What is the InChIKey of 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile?
The InChIKey is GAKSQPHCUWAMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-8-4-5-11(7-16)6-12(8)19-14-10(3)9(2)13(15)17-18-14/h4-6H,1-3H3.
What are the key properties of 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile?
3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile is sourced from PubChem (CID 107657775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).