3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile

C20H19N3O — CID 142944669

IUPAC3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile
SMILESCC1=CC(Cc2ccc(C)c(Oc3cccc(C#N)c3)c2)=NNC1
InChIInChI=1S/C20H19N3O/c1-14-8-18(23-22-13-14)9-16-7-6-15(2)20(11-16)24-19-5-3-4-17(10-19)12-21/h3-8,10-11,22H,9,13H2,1-2H3
InChIKeyOQVQFAIIGUDCMN-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.11
Rot. Bonds4

About 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile

3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile (PubChem CID 142944669) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile.

Molecular Properties

Compound Name3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile
PubChem CID142944669
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile
SMILESCC1=CC(Cc2ccc(C)c(Oc3cccc(C#N)c3)c2)=NNC1
InChIInChI=1S/C20H19N3O/c1-14-8-18(23-22-13-14)9-16-7-6-15(2)20(11-16)24-19-5-3-4-17(10-19)12-21/h3-8,10-11,22H,9,13H2,1-2H3
InChIKeyOQVQFAIIGUDCMN-UHFFFAOYSA-N
XLogP4.11
TPSA57.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile 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

3-[3-(chloromethyl)phenoxy]-4-methylbenzonitrile
CID 107659207
3-[4-(chloromethyl)phenoxy]-4-methylbenzonitrile
CID 107659195
3-[2-bromo-5-[(6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzonitrile
CID 18439986
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
2-[3-(3-bromophenoxy)-4-methylphenyl]acetonitrile
CID 142944736
3-(3-acetylphenoxy)-4-methylbenzonitrile
CID 107658586
3-(5-cyano-2-methylphenoxy)benzoic acid
CID 107658929
4-methyl-3-[3-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 107658671
3-(3-ethylphenoxy)benzonitrile
CID 66843456
3-methyl-5-[2-methyl-5-[(5-methyl-6-oxo-1H-pyridazin-3-yl)methyl]phenoxy]benzonitrile
CID 142944613
3-[(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)oxy]benzonitrile
CID 11680414
3-[5-[(6-oxo-1H-pyridazin-3-yl)methyl]-2-(trifluoromethyl)phenoxy]benzonitrile
CID 18440014

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile?
The IUPAC name of 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile (CID 142944669) is 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile.
What is the SMILES notation for 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile?
The canonical SMILES for 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile is CC1=CC(Cc2ccc(C)c(Oc3cccc(C#N)c3)c2)=NNC1.
What is the InChIKey of 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile?
The InChIKey is OQVQFAIIGUDCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-8-18(23-22-13-14)9-16-7-6-15(2)20(11-16)24-19-5-3-4-17(10-19)12-21/h3-8,10-11,22H,9,13H2,1-2H3.
What are the key properties of 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile?
3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile has a molecular weight of 317.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-5-[(5-methyl-1,6-dihydropyridazin-3-yl)methyl]phenoxy]benzonitrile is sourced from PubChem (CID 142944669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).