3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane

C36H34F10N8O5 — CID 142362315

About 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane

3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane (PubChem CID 142362315) has the molecular formula C36H34F10N8O5 and a molecular weight of 848.70 g/mol. Its IUPAC name is 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane.

Molecular Properties

• Compound Name: 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane
• PubChem CID: 142362315
• Molecular Formula: C36H34F10N8O5
• Molecular Weight: 848.70 g/mol
• Exact Mass: 848.25
• IUPAC Name: 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane
• SMILES: CC.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OCC3CC3)n2n1
• InChI: InChI=1S/C18H15F5N4O3.C16H13F5N4O2.C2H6/c1-28-14-8-11(30-18(21,22)23)4-5-12(14)13-6-7-15-24-25-16(27(15)26-13)17(19,20)29-9-10-2-3-10;1-15(17,18)14-23-22-13-6-5-12(24-25(13)14)11-4-3-10(27-16(19,20)21)7-9(11)8-26-2;1-2/h4-8,10H,2-3,9H2,1H3;3-7H,8H2,1-2H3;1-2H3
• InChIKey: VVHOEVNFOUSERG-UHFFFAOYSA-N
• XLogP: 9.15
• TPSA: 132.31 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	848.70
LogP ≤ 5	9.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?

The IUPAC name of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane (CID 142362315) is 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane.

What is the SMILES notation for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?

The canonical SMILES for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane is CC.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)(F)F)n2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OCC3CC3)n2n1.

What is the InChIKey of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?

The InChIKey is VVHOEVNFOUSERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N4O3.C16H13F5N4O2.C2H6/c1-28-14-8-11(30-18(21,22)23)4-5-12(14)13-6-7-15-24-25-16(27(15)26-13)17(19,20)29-9-10-2-3-10;1-15(17,18)14-23-22-13-6-5-12(24-25(13)14)11-4-3-10(27-16(19,20)21)7-9(11)8-26-2;1-2/h4-8,10H,2-3,9H2,1H3;3-7H,8H2,1-2H3;1-2H3.

What are the key properties of 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?

3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane has a molecular weight of 848.70 g/mol, XLogP of 9.15, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane is sourced from PubChem (CID 142362315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).