5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile

C13H13N3OS — CID 54966515

IUPAC5,6-dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile
SMILESCC1=C(N=NC(=C1C#N)OCCC2=CC=CS2)C
InChIInChI=1S/C13H13N3OS/c1-9-10(2)15-16-13(12(9)8-14)17-6-5-11-4-3-7-18-11/h3-4,7H,5-6H2,1-2H3
InChIKeyUNTADXFANPXWTO-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.30
Rot. Bonds4

About 5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile

5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile (PubChem CID 54966515) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile
PubChem CID54966515
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name5,6-dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile
SMILESCC1=C(N=NC(=C1C#N)OCCC2=CC=CS2)C
InChIInChI=1S/C13H13N3OS/c1-9-10(2)15-16-13(12(9)8-14)17-6-5-11-4-3-7-18-11/h3-4,7H,5-6H2,1-2H3
InChIKeyUNTADXFANPXWTO-UHFFFAOYSA-N
XLogP2.30
TPSA87.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity317

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile (CID 54966515) is 5,6-dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile is CC1=C(N=NC(=C1C#N)OCCC2=CC=CS2)C.
What is the InChIKey of 5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile?
The InChIKey is UNTADXFANPXWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-10(2)15-16-13(12(9)8-14)17-6-5-11-4-3-7-18-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile?
5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile has a molecular weight of 259.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-Dimethyl-3-(2-thiophen-2-ylethoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 54966515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).