7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C15H11F6N5O — CID 155337969

About 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 155337969) has the molecular formula C15H11F6N5O and a molecular weight of 391.28 g/mol. Its IUPAC name is 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 155337969
• Molecular Formula: C15H11F6N5O
• Molecular Weight: 391.28 g/mol
• Exact Mass: 391.09
• IUPAC Name: 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: Cc1cc2nnc(C(F)(F)F)n2nc1-c1ccc(OC(C)C(F)(F)F)nc1
• InChI: InChI=1S/C15H11F6N5O/c1-7-5-10-23-24-13(15(19,20)21)26(10)25-12(7)9-3-4-11(22-6-9)27-8(2)14(16,17)18/h3-6,8H,1-2H3
• InChIKey: IBCMIJPBPVJMTH-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 65.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.28
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 155337969) is 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc2nnc(C(F)(F)F)n2nc1-c1ccc(OC(C)C(F)(F)F)nc1.

What is the InChIKey of 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is IBCMIJPBPVJMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N5O/c1-7-5-10-23-24-13(15(19,20)21)26(10)25-12(7)9-3-4-11(22-6-9)27-8(2)14(16,17)18/h3-6,8H,1-2H3.

What are the key properties of 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 391.28 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-3-(trifluoromethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 155337969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).