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

C10H6F3N5 — CID 1480853

IUPAC6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(-n3cccc3)nn12
InChIInChI=1S/C10H6F3N5/c11-10(12,13)9-15-14-7-3-4-8(16-18(7)9)17-5-1-2-6-17/h1-6H
InChIKeyMNNNSZOIIVUEEI-UHFFFAOYSA-N
MW253.19 g/mol
LogP1.93
Rot. Bonds1

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

6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 1480853) has the molecular formula C10H6F3N5 and a molecular weight of 253.19 g/mol. Its IUPAC name is 6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID1480853
Molecular FormulaC10H6F3N5
Molecular Weight253.19 g/mol
Exact Mass253.06
IUPAC Name6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(-n3cccc3)nn12
InChIInChI=1S/C10H6F3N5/c11-10(12,13)9-15-14-7-3-4-8(16-18(7)9)17-5-1-2-6-17/h1-6H
InChIKeyMNNNSZOIIVUEEI-UHFFFAOYSA-N
XLogP1.93
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]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 6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 1480853) is 6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-pyrrol-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-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MNNNSZOIIVUEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5/c11-10(12,13)9-15-14-7-3-4-8(16-18(7)9)17-5-1-2-6-17/h1-6H.
What are the key properties of 6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 253.19 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrol-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 1480853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).