5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile

C13H20N4 — CID 34003070

IUPAC5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCCCC(C)C)c(C#N)c1C
InChIInChI=1S/C13H20N4/c1-9(2)6-5-7-15-13-12(8-14)10(3)11(4)16-17-13/h9H,5-7H2,1-4H3,(H,15,17)
InChIKeyUFWHBWDJGJDXHV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.81
Rot. Bonds5

About 5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile (PubChem CID 34003070) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile
PubChem CID34003070
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCCCC(C)C)c(C#N)c1C
InChIInChI=1S/C13H20N4/c1-9(2)6-5-7-15-13-12(8-14)10(3)11(4)16-17-13/h9H,5-7H2,1-4H3,(H,15,17)
InChIKeyUFWHBWDJGJDXHV-UHFFFAOYSA-N
XLogP2.81
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile (CID 34003070) is 5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile is Cc1nnc(NCCCC(C)C)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile?
The InChIKey is UFWHBWDJGJDXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-9(2)6-5-7-15-13-12(8-14)10(3)11(4)16-17-13/h9H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(4-methylpentylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 34003070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).