5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile

C13H20N4O2S — CID 80509663

IUPAC5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NC(C)CS(C)(=O)=O)c(C#N)c1CC
InChIInChI=1S/C13H20N4O2S/c1-5-10-11(7-14)13(17-16-12(10)6-2)15-9(3)8-20(4,18)19/h9H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyQEAXNEFHDBVTCJ-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.32
Rot. Bonds6

About 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile

5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile (PubChem CID 80509663) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile
PubChem CID80509663
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile
SMILESCCc1nnc(NC(C)CS(C)(=O)=O)c(C#N)c1CC
InChIInChI=1S/C13H20N4O2S/c1-5-10-11(7-14)13(17-16-12(10)6-2)15-9(3)8-20(4,18)19/h9H,5-6,8H2,1-4H3,(H,15,17)
InChIKeyQEAXNEFHDBVTCJ-UHFFFAOYSA-N
XLogP1.32
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)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

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile (CID 80509663) is 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile is CCc1nnc(NC(C)CS(C)(=O)=O)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile?
The InChIKey is QEAXNEFHDBVTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-5-10-11(7-14)13(17-16-12(10)6-2)15-9(3)8-20(4,18)19/h9H,5-6,8H2,1-4H3,(H,15,17).
What are the key properties of 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile?
5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile has a molecular weight of 296.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(1-methylsulfonylpropan-2-ylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).