3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine

C13H19F3N4 — CID 131992329

IUPAC3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
SMILESCCC(C)N1CCN(c2cc(C(F)(F)F)cnn2)CC1
InChIInChI=1S/C13H19F3N4/c1-3-10(2)19-4-6-20(7-5-19)12-8-11(9-17-18-12)13(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyUBRYGFRPKFFGHK-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.42
Rot. Bonds3

About 3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine

3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine (PubChem CID 131992329) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
PubChem CID131992329
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine
SMILESCCC(C)N1CCN(c2cc(C(F)(F)F)cnn2)CC1
InChIInChI=1S/C13H19F3N4/c1-3-10(2)19-4-6-20(7-5-19)12-8-11(9-17-18-12)13(14,15)16/h8-10H,3-7H2,1-2H3
InChIKeyUBRYGFRPKFFGHK-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

Analyze 3-(4-butan-2-ylpiperazin-1-yl)-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-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine (CID 131992329) is 3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine is CCC(C)N1CCN(c2cc(C(F)(F)F)cnn2)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
The InChIKey is UBRYGFRPKFFGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-3-10(2)19-4-6-20(7-5-19)12-8-11(9-17-18-12)13(14,15)16/h8-10H,3-7H2,1-2H3.
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine?
3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine has a molecular weight of 288.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 131992329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).