6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine

C12H17F3N2 — CID 171600811

IUPAC6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine
SMILESCC(C)c1nnc(C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-7(2)10-8(12(13,14)15)6-9(16-17-10)11(3,4)5/h6-7H,1-5H3
InChIKeyYOAUVBSQSCAQTQ-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.92
Rot. Bonds1

About 6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine

6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine (PubChem CID 171600811) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine
PubChem CID171600811
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine
SMILESCC(C)c1nnc(C(C)(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H17F3N2/c1-7(2)10-8(12(13,14)15)6-9(16-17-10)11(3,4)5/h6-7H,1-5H3
InChIKeyYOAUVBSQSCAQTQ-UHFFFAOYSA-N
XLogP3.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine?
The IUPAC name of 6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine (CID 171600811) is 6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine.
What is the SMILES notation for 6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine?
The canonical SMILES for 6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine is CC(C)c1nnc(C(C)(C)C)cc1C(F)(F)F.
What is the InChIKey of 6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine?
The InChIKey is YOAUVBSQSCAQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-7(2)10-8(12(13,14)15)6-9(16-17-10)11(3,4)5/h6-7H,1-5H3.
What are the key properties of 6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine?
6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine has a molecular weight of 246.28 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyridazine is sourced from PubChem (CID 171600811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).