5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile

C14H21N3O — CID 80510829

IUPAC5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OC(C)C(C)C)c(C#N)c1CC
InChIInChI=1S/C14H21N3O/c1-6-11-12(8-15)14(17-16-13(11)7-2)18-10(5)9(3)4/h9-10H,6-7H2,1-5H3
InChIKeyBMNGIJQBYKLYBB-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.90
Rot. Bonds5

About 5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile

5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile (PubChem CID 80510829) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile
PubChem CID80510829
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile
SMILESCCc1nnc(OC(C)C(C)C)c(C#N)c1CC
InChIInChI=1S/C14H21N3O/c1-6-11-12(8-15)14(17-16-13(11)7-2)18-10(5)9(3)4/h9-10H,6-7H2,1-5H3
InChIKeyBMNGIJQBYKLYBB-UHFFFAOYSA-N
XLogP2.90
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,6-diethyl-3-(3-methylbutan-2-yloxy)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-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile (CID 80510829) is 5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile is CCc1nnc(OC(C)C(C)C)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile?
The InChIKey is BMNGIJQBYKLYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-6-11-12(8-15)14(17-16-13(11)7-2)18-10(5)9(3)4/h9-10H,6-7H2,1-5H3.
What are the key properties of 5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile?
5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile has a molecular weight of 247.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-(3-methylbutan-2-yloxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 80510829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).