5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile

C13H20N4O — CID 115586277

IUPAC5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCOCC(C)C)c(C#N)c1C
InChIInChI=1S/C13H20N4O/c1-9(2)8-18-6-5-15-13-12(7-14)10(3)11(4)16-17-13/h9H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyLBWIISUMQVAPTA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.05
Rot. Bonds6

About 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile (PubChem CID 115586277) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile
PubChem CID115586277
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile
SMILESCc1nnc(NCCOCC(C)C)c(C#N)c1C
InChIInChI=1S/C13H20N4O/c1-9(2)8-18-6-5-15-13-12(7-14)10(3)11(4)16-17-13/h9H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyLBWIISUMQVAPTA-UHFFFAOYSA-N
XLogP2.05
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile 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

5,6-dimethyl-3-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 62639917
5,6-dimethyl-3-(2-phenoxyethylamino)pyridazine-4-carbonitrile
CID 34013796
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
5,6-dimethyl-3-[2-(4-methylsulfonylphenoxy)ethylamino]pyridazine-4-carbonitrile
CID 154748089
5,6-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]pyridazine-4-carbonitrile
CID 133459266
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 104828361
3-[2-(4-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535380
5,6-dimethyl-3-(2-pyrrolidin-1-ylpropylamino)pyridazine-4-carbonitrile
CID 112726802
2-[[(4-cyano-5,6-dimethylpyridazin-3-yl)amino]methyl]-3-methylbutanoic acid
CID 80508263
5,6-dimethyl-3-[2-(2-methylphenyl)ethylamino]pyridazine-4-carbonitrile
CID 31536211

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile (CID 115586277) is 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile is Cc1nnc(NCCOCC(C)C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile?
The InChIKey is LBWIISUMQVAPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)8-18-6-5-15-13-12(7-14)10(3)11(4)16-17-13/h9H,5-6,8H2,1-4H3,(H,15,17).
What are the key properties of 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 115586277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).