3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine

C13H19F3N4 — CID 133059610

IUPAC3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
SMILESCC(C)(C)N1CCN(c2cc(C(F)(F)F)cnn2)CC1
InChIInChI=1S/C13H19F3N4/c1-12(2,3)20-6-4-19(5-7-20)11-8-10(9-17-18-11)13(14,15)16/h8-9H,4-7H2,1-3H3
InChIKeyGNYQZHSMPWMZQF-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.42
Rot. Bonds1

About 3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine

3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine (PubChem CID 133059610) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
PubChem CID133059610
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
SMILESCC(C)(C)N1CCN(c2cc(C(F)(F)F)cnn2)CC1
InChIInChI=1S/C13H19F3N4/c1-12(2,3)20-6-4-19(5-7-20)11-8-10(9-17-18-11)13(14,15)16/h8-9H,4-7H2,1-3H3
InChIKeyGNYQZHSMPWMZQF-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine (CID 133059610) is 3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine is CC(C)(C)N1CCN(c2cc(C(F)(F)F)cnn2)CC1.
What is the InChIKey of 3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The InChIKey is GNYQZHSMPWMZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-12(2,3)20-6-4-19(5-7-20)11-8-10(9-17-18-11)13(14,15)16/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine has a molecular weight of 288.32 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 133059610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).