3-tert-butyl-5-(trifluoromethyl)pyridazine

C9H11F3N2 — CID 58945742

IUPAC3-tert-butyl-5-(trifluoromethyl)pyridazine
SMILESCC(C)(C)c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C9H11F3N2/c1-8(2,3)7-4-6(5-13-14-7)9(10,11)12/h4-5H,1-3H3
InChIKeyZJQRFPBTWUOOLZ-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.79
Rot. Bonds

About 3-tert-butyl-5-(trifluoromethyl)pyridazine

3-tert-butyl-5-(trifluoromethyl)pyridazine (PubChem CID 58945742) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-tert-butyl-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-tert-butyl-5-(trifluoromethyl)pyridazine
PubChem CID58945742
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name3-tert-butyl-5-(trifluoromethyl)pyridazine
SMILESCC(C)(C)c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C9H11F3N2/c1-8(2,3)7-4-6(5-13-14-7)9(10,11)12/h4-5H,1-3H3
InChIKeyZJQRFPBTWUOOLZ-UHFFFAOYSA-N
XLogP2.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-5-(trifluoromethyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3-tert-butyl-5-(trifluoromethyl)pyridazine (CID 58945742) is 3-tert-butyl-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-tert-butyl-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-tert-butyl-5-(trifluoromethyl)pyridazine is CC(C)(C)c1cc(C(F)(F)F)cnn1.
What is the InChIKey of 3-tert-butyl-5-(trifluoromethyl)pyridazine?
The InChIKey is ZJQRFPBTWUOOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c1-8(2,3)7-4-6(5-13-14-7)9(10,11)12/h4-5H,1-3H3.
What are the key properties of 3-tert-butyl-5-(trifluoromethyl)pyridazine?
3-tert-butyl-5-(trifluoromethyl)pyridazine has a molecular weight of 204.19 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 58945742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).