3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane

C9H13F3N2 — CID 164557661

IUPAC3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane
SMILESCC.Cc1cc(C(F)(F)F)c(C)nn1
InChIInChI=1S/C7H7F3N2.C2H6/c1-4-3-6(7(8,9)10)5(2)12-11-4;1-2/h3H,1-2H3;1-2H3
InChIKeyNJZIHKOCMGCKKT-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.14
Rot. Bonds

About 3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane

3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane (PubChem CID 164557661) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane.

Molecular Properties

Compound Name3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane
PubChem CID164557661
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane
SMILESCC.Cc1cc(C(F)(F)F)c(C)nn1
InChIInChI=1S/C7H7F3N2.C2H6/c1-4-3-6(7(8,9)10)5(2)12-11-4;1-2/h3H,1-2H3;1-2H3
InChIKeyNJZIHKOCMGCKKT-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane?
The IUPAC name of 3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane (CID 164557661) is 3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane.
What is the SMILES notation for 3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane?
The canonical SMILES for 3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane is CC.Cc1cc(C(F)(F)F)c(C)nn1.
What is the InChIKey of 3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane?
The InChIKey is NJZIHKOCMGCKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2.C2H6/c1-4-3-6(7(8,9)10)5(2)12-11-4;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane?
3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane has a molecular weight of 206.21 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-(trifluoromethyl)pyridazine;ethane is sourced from PubChem (CID 164557661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).