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

C34H30F10N8O5 — CID 142362408

IUPAC3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane
SMILESCC.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C3COC3)nn12.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OC)n2n1
InChIInChI=1S/C17H13F5N4O2.C15H11F5N4O3.C2H6/c1-16(18,19)15-24-23-14-5-4-13(25-26(14)15)11-3-2-10(28-17(20,21)22)6-12(11)9-7-27-8-9;1-25-11-7-8(27-15(18,19)20)3-4-9(11)10-5-6-12-21-22-13(24(12)23-10)14(16,17)26-2;1-2/h2-6,9H,7-8H2,1H3;3-7H,1-2H3;1-2H3
InChIKeyCAVGLUJJJHMNBR-UHFFFAOYSA-N
MW820.64 g/mol
LogP8.34
Rot. Bonds9

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

3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane (PubChem CID 142362408) has the molecular formula C34H30F10N8O5 and a molecular weight of 820.64 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane
PubChem CID142362408
Molecular FormulaC34H30F10N8O5
Molecular Weight820.64 g/mol
Exact Mass820.22
IUPAC Name3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane
SMILESCC.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C3COC3)nn12.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OC)n2n1
InChIInChI=1S/C17H13F5N4O2.C15H11F5N4O3.C2H6/c1-16(18,19)15-24-23-14-5-4-13(25-26(14)15)11-3-2-10(28-17(20,21)22)6-12(11)9-7-27-8-9;1-25-11-7-8(27-15(18,19)20)3-4-9(11)10-5-6-12-21-22-13(24(12)23-10)14(16,17)26-2;1-2/h2-6,9H,7-8H2,1H3;3-7H,1-2H3;1-2H3
InChIKeyCAVGLUJJJHMNBR-UHFFFAOYSA-N
XLogP8.34
TPSA132.31 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500820.64
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane with MolForge

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Related Compounds

5-[2-Methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[4,3-b]pyridin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
CID 59995638
3-(3,3-Difluorocyclobutyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555440
3-(Difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555446
3-(2,2-Difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555527
6-[2-Methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555549
3-[Cyclopropylmethoxy(difluoro)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555573
3-[Difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555592
6-[2-(Oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555595
3-(2,2-Difluorocyclopropyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(difluoromethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362308
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
3-(2,2-Difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362328
Ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362330

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane (CID 142362408) is 3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane is CC.CC(F)(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3C3COC3)nn12.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)OC)n2n1.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The InChIKey is CAVGLUJJJHMNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N4O2.C15H11F5N4O3.C2H6/c1-16(18,19)15-24-23-14-5-4-13(25-26(14)15)11-3-2-10(28-17(20,21)22)6-12(11)9-7-27-8-9;1-25-11-7-8(27-15(18,19)20)3-4-9(11)10-5-6-12-21-22-13(24(12)23-10)14(16,17)26-2;1-2/h2-6,9H,7-8H2,1H3;3-7H,1-2H3;1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane has a molecular weight of 820.64 g/mol, XLogP of 8.34, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-[2-(oxetan-3-yl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro(methoxy)methyl]-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane is sourced from PubChem (CID 142362408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).