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

C10H10F3N5 — CID 1476857

IUPAC6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCCC3)nn12
InChIInChI=1S/C10H10F3N5/c11-10(12,13)9-15-14-7-3-4-8(16-18(7)9)17-5-1-2-6-17/h3-4H,1-2,5-6H2
InChIKeyNJTBVMOKDUAAEH-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.74
Rot. Bonds1

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

6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 1476857) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID1476857
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCCC3)nn12
InChIInChI=1S/C10H10F3N5/c11-10(12,13)9-15-14-7-3-4-8(16-18(7)9)17-5-1-2-6-17/h3-4H,1-2,5-6H2
InChIKeyNJTBVMOKDUAAEH-UHFFFAOYSA-N
XLogP1.74
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 1476857) is 6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(N3CCCC3)nn12.
What is the InChIKey of 6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NJTBVMOKDUAAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)9-15-14-7-3-4-8(16-18(7)9)17-5-1-2-6-17/h3-4H,1-2,5-6H2.
What are the key properties of 6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 257.22 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 1476857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).