ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine

C10H15F3N2 — CID 165399562

IUPACethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine
SMILESCC.CCc1nnc(C)cc1C(F)(F)F
InChIInChI=1S/C8H9F3N2.C2H6/c1-3-7-6(8(9,10)11)4-5(2)12-13-7;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyMRGUSVXUQGODCC-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.39
Rot. Bonds1

About ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine

ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine (PubChem CID 165399562) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Nameethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine
PubChem CID165399562
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Nameethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine
SMILESCC.CCc1nnc(C)cc1C(F)(F)F
InChIInChI=1S/C8H9F3N2.C2H6/c1-3-7-6(8(9,10)11)4-5(2)12-13-7;1-2/h4H,3H2,1-2H3;1-2H3
InChIKeyMRGUSVXUQGODCC-UHFFFAOYSA-N
XLogP3.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine?
The IUPAC name of ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine (CID 165399562) is ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine.
What is the SMILES notation for ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine?
The canonical SMILES for ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine is CC.CCc1nnc(C)cc1C(F)(F)F.
What is the InChIKey of ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine?
The InChIKey is MRGUSVXUQGODCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.C2H6/c1-3-7-6(8(9,10)11)4-5(2)12-13-7;1-2/h4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine?
ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine has a molecular weight of 220.24 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-6-methyl-4-(trifluoromethyl)pyridazine is sourced from PubChem (CID 165399562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).