2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine

C7H9F3N2 — CID 167172074

IUPAC2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine
SMILESCC1=CC=C(C(F)(F)F)NN1C
InChIInChI=1S/C7H9F3N2/c1-5-3-4-6(7(8,9)10)11-12(5)2/h3-4,11H,1-2H3
InChIKeyMXNBBHQXQLYJKI-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.79
Rot. Bonds

About 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine

2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine (PubChem CID 167172074) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine
PubChem CID167172074
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine
SMILESCC1=CC=C(C(F)(F)F)NN1C
InChIInChI=1S/C7H9F3N2/c1-5-3-4-6(7(8,9)10)11-12(5)2/h3-4,11H,1-2H3
InChIKeyMXNBBHQXQLYJKI-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine?
The IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine (CID 167172074) is 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine.
What is the SMILES notation for 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine?
The canonical SMILES for 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine is CC1=CC=C(C(F)(F)F)NN1C.
What is the InChIKey of 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine?
The InChIKey is MXNBBHQXQLYJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5-3-4-6(7(8,9)10)11-12(5)2/h3-4,11H,1-2H3.
What are the key properties of 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine?
2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine has a molecular weight of 178.16 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(trifluoromethyl)-1H-pyridazine is sourced from PubChem (CID 167172074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).