3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine

C13H19F3N4 — CID 134595789

IUPAC3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine
SMILESCC(C)(C)c1ccc(N2CCNCC2C(F)(F)F)nn1
InChIInChI=1S/C13H19F3N4/c1-12(2,3)9-4-5-11(19-18-9)20-7-6-17-8-10(20)13(14,15)16/h4-5,10,17H,6-8H2,1-3H3
InChIKeyZUWIKZSWLGTJDW-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.11
Rot. Bonds1

About 3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine

3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine (PubChem CID 134595789) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine
PubChem CID134595789
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine
SMILESCC(C)(C)c1ccc(N2CCNCC2C(F)(F)F)nn1
InChIInChI=1S/C13H19F3N4/c1-12(2,3)9-4-5-11(19-18-9)20-7-6-17-8-10(20)13(14,15)16/h4-5,10,17H,6-8H2,1-3H3
InChIKeyZUWIKZSWLGTJDW-UHFFFAOYSA-N
XLogP2.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-[2-(trifluoromethyl)piperazin-1-yl]pyrimidine
CID 172895095
1-(2-chlorophenyl)-2-(trifluoromethyl)piperazine
CID 115101344
1-(furan-2-yl)-2-(trifluoromethyl)piperazine
CID 115101312
3-chloro-6-(2-methylpiperazin-1-yl)pyridazine
CID 62673005
1-(6-tert-butylpyridazin-3-yl)piperidin-4-amine
CID 116972368
1-(6-tert-butylpyridazin-3-yl)-N-methylpiperidin-3-amine
CID 116972417
2-(6-tert-butylpyridazin-3-yl)morpholine
CID 140941619
N-(azetidin-3-yl)-6-tert-butylpyridazin-3-amine
CID 116970920
3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridazine
CID 129258348
3-tert-butyl-6-pyrrolidin-3-yloxypyridazine
CID 134595575
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
3-tert-butyl-6-(4-piperidin-1-ylpiperidin-1-yl)pyridazine
CID 171691198

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine (CID 134595789) is 3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine is CC(C)(C)c1ccc(N2CCNCC2C(F)(F)F)nn1.
What is the InChIKey of 3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine?
The InChIKey is ZUWIKZSWLGTJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-12(2,3)9-4-5-11(19-18-9)20-7-6-17-8-10(20)13(14,15)16/h4-5,10,17H,6-8H2,1-3H3.
What are the key properties of 3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine?
3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine has a molecular weight of 288.32 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-[2-(trifluoromethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 134595789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).