5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile

C12H11N3OS — CID 54967214

IUPAC5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile
SMILESCc1nnc(OCc2cccs2)c(C#N)c1C
InChIInChI=1S/C12H11N3OS/c1-8-9(2)14-15-12(11(8)6-13)16-7-10-4-3-5-17-10/h3-5H,7H2,1-2H3
InChIKeyQMYYUOJMZMGDQR-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.61
Rot. Bonds3

About 5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile

5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile (PubChem CID 54967214) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile
PubChem CID54967214
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile
SMILESCc1nnc(OCc2cccs2)c(C#N)c1C
InChIInChI=1S/C12H11N3OS/c1-8-9(2)14-15-12(11(8)6-13)16-7-10-4-3-5-17-10/h3-5H,7H2,1-2H3
InChIKeyQMYYUOJMZMGDQR-UHFFFAOYSA-N
XLogP2.61
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.61
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-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile (CID 54967214) is 5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile is Cc1nnc(OCc2cccs2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile?
The InChIKey is QMYYUOJMZMGDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-8-9(2)14-15-12(11(8)6-13)16-7-10-4-3-5-17-10/h3-5H,7H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile has a molecular weight of 245.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(thiophen-2-ylmethoxy)pyridazine-4-carbonitrile is sourced from PubChem (CID 54967214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).