3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine

C7H11F3N2 — CID 135234772

IUPAC3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine
SMILESCC1=CCC(C)(C(F)(F)F)NN1
InChIInChI=1S/C7H11F3N2/c1-5-3-4-6(2,12-11-5)7(8,9)10/h3,11-12H,4H2,1-2H3
InChIKeyGVSMUBXCXWODKE-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.71
Rot. Bonds

About 3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine

3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine (PubChem CID 135234772) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine.

Molecular Properties

Compound Name3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine
PubChem CID135234772
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine
SMILESCC1=CCC(C)(C(F)(F)F)NN1
InChIInChI=1S/C7H11F3N2/c1-5-3-4-6(2,12-11-5)7(8,9)10/h3,11-12H,4H2,1-2H3
InChIKeyGVSMUBXCXWODKE-UHFFFAOYSA-N
XLogP1.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine?
The IUPAC name of 3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine (CID 135234772) is 3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine.
What is the SMILES notation for 3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine?
The canonical SMILES for 3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine is CC1=CCC(C)(C(F)(F)F)NN1.
What is the InChIKey of 3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine?
The InChIKey is GVSMUBXCXWODKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5-3-4-6(2,12-11-5)7(8,9)10/h3,11-12H,4H2,1-2H3.
What are the key properties of 3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine?
3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine has a molecular weight of 180.17 g/mol, XLogP of 1.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3-(trifluoromethyl)-2,4-dihydro-1H-pyridazine is sourced from PubChem (CID 135234772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).