6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C11H13F3N6 — CID 1476861

IUPAC6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C11H13F3N6/c1-18-4-6-19(7-5-18)9-3-2-8-15-16-10(11(12,13)14)20(8)17-9/h2-3H,4-7H2,1H3
InChIKeyZTWKAXBZGXHDCJ-UHFFFAOYSA-N
MW286.26 g/mol
LogP0.89
Rot. Bonds1

About 6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 1476861) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID1476861
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1
InChIInChI=1S/C11H13F3N6/c1-18-4-6-19(7-5-18)9-3-2-8-15-16-10(11(12,13)14)20(8)17-9/h2-3H,4-7H2,1H3
InChIKeyZTWKAXBZGXHDCJ-UHFFFAOYSA-N
XLogP0.89
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 1476861) is 6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CN1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZTWKAXBZGXHDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-18-4-6-19(7-5-18)9-3-2-8-15-16-10(11(12,13)14)20(8)17-9/h2-3H,4-7H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 286.26 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 1476861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).