3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

C32H27F10N9O2 — CID 142362516

IUPAC3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC.CC(F)(F)Cc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.Fc1cc(-c2ccc3nnc(C4(F)CC4)n3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C15H10F5N5O.C15H11F5N4O.C2H6/c16-9-5-8(6-21-12(9)26-7-15(18,19)20)10-1-2-11-22-23-13(25(11)24-10)14(17)3-4-14;1-14(16,17)6-12-22-23-13-7-21-11(8-24(12)13)9-2-4-10(5-3-9)25-15(18,19)20;1-2/h1-2,5-6H,3-4,7H2;2-5,7-8H,6H2,1H3;1-2H3
InChIKeyBIBJKXOPRRJOBH-UHFFFAOYSA-N
MW759.61 g/mol
LogP8.14
Rot. Bonds8

About 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine

3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142362516) has the molecular formula C32H27F10N9O2 and a molecular weight of 759.61 g/mol. Its IUPAC name is 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142362516
Molecular FormulaC32H27F10N9O2
Molecular Weight759.61 g/mol
Exact Mass759.21
IUPAC Name3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC.CC(F)(F)Cc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.Fc1cc(-c2ccc3nnc(C4(F)CC4)n3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C15H10F5N5O.C15H11F5N4O.C2H6/c16-9-5-8(6-21-12(9)26-7-15(18,19)20)10-1-2-11-22-23-13(25(11)24-10)14(17)3-4-14;1-14(16,17)6-12-22-23-13-7-21-11(8-24(12)13)9-2-4-10(5-3-9)25-15(18,19)20;1-2/h1-2,5-6H,3-4,7H2;2-5,7-8H,6H2,1H3;1-2H3
InChIKeyBIBJKXOPRRJOBH-UHFFFAOYSA-N
XLogP8.14
TPSA117.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500759.61
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

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US10399985, Example 45
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3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
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3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
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CID 147075611
Lmtk3-IN-1
CID 138454301
6-(Cyclopropylmethoxy)-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 11221464
6-(Cyclopropylmethoxy)-2-(4-ethoxyphenyl)imidazo[1,2-b]pyridazine
CID 11358773

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 142362516) is 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC.CC(F)(F)Cc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.Fc1cc(-c2ccc3nnc(C4(F)CC4)n3n2)cnc1OCC(F)(F)F.
What is the InChIKey of 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BIBJKXOPRRJOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N5O.C15H11F5N4O.C2H6/c16-9-5-8(6-21-12(9)26-7-15(18,19)20)10-1-2-11-22-23-13(25(11)24-10)14(17)3-4-14;1-14(16,17)6-12-22-23-13-7-21-11(8-24(12)13)9-2-4-10(5-3-9)25-15(18,19)20;1-2/h1-2,5-6H,3-4,7H2;2-5,7-8H,6H2,1H3;1-2H3.
What are the key properties of 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 759.61 g/mol, XLogP of 8.14, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluorocyclopropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142362516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).