5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine

C11H18N2S — CID 142399518

IUPAC5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine
SMILESCSCc1cc(CC(C)(C)C)cnn1
InChIInChI=1S/C11H18N2S/c1-11(2,3)6-9-5-10(8-14-4)13-12-7-9/h5,7H,6,8H2,1-4H3
InChIKeyVXVDRGCDKPGHQV-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.93
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine

5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine (PubChem CID 142399518) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine
PubChem CID142399518
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine
SMILESCSCc1cc(CC(C)(C)C)cnn1
InChIInChI=1S/C11H18N2S/c1-11(2,3)6-9-5-10(8-14-4)13-12-7-9/h5,7H,6,8H2,1-4H3
InChIKeyVXVDRGCDKPGHQV-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine (CID 142399518) is 5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine is CSCc1cc(CC(C)(C)C)cnn1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine?
The InChIKey is VXVDRGCDKPGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-11(2,3)6-9-5-10(8-14-4)13-12-7-9/h5,7H,6,8H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine?
5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine has a molecular weight of 210.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-(methylsulfanylmethyl)pyridazine is sourced from PubChem (CID 142399518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).