3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H13F4N5O2 — CID 156754737

About 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 156754737) has the molecular formula C16H13F4N5O2 and a molecular weight of 383.31 g/mol. Its IUPAC name is 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 156754737
• Molecular Formula: C16H13F4N5O2
• Molecular Weight: 383.31 g/mol
• Exact Mass: 383.10
• IUPAC Name: 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: FCOc1ncc(-c2ccc3nnc(C(F)(F)OCC4CC4)n3n2)cc1F
• InChI: InChI=1S/C16H13F4N5O2/c17-8-26-14-11(18)5-10(6-21-14)12-3-4-13-22-23-15(25(13)24-12)16(19,20)27-7-9-1-2-9/h3-6,9H,1-2,7-8H2
• InChIKey: VKJOYIMOYMOATL-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 74.43 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.31
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 156754737) is 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is FCOc1ncc(-c2ccc3nnc(C(F)(F)OCC4CC4)n3n2)cc1F.

What is the InChIKey of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is VKJOYIMOYMOATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N5O2/c17-8-26-14-11(18)5-10(6-21-14)12-3-4-13-22-23-15(25(13)24-12)16(19,20)27-7-9-1-2-9/h3-6,9H,1-2,7-8H2.

What are the key properties of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?

3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 383.31 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[5-fluoro-6-(fluoromethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 156754737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).