3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C28H18F10N8O2 — CID 142362445

IUPAC3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)OCc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.FCCc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C14H8F6N4O.C14H10F4N4O/c15-13(16,17)12-22-21-11-6-5-10(23-24(11)12)9-3-1-8(2-4-9)7-25-14(18,19)20;15-6-5-12-20-21-13-7-19-11(8-22(12)13)9-1-3-10(4-2-9)23-14(16,17)18/h1-6H,7H2;1-4,7-8H,5-6H2
InChIKeyIVEYRCYTPTWXFX-UHFFFAOYSA-N
MW688.49 g/mol
LogP7.05
Rot. Bonds7

About 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142362445) has the molecular formula C28H18F10N8O2 and a molecular weight of 688.49 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142362445
Molecular FormulaC28H18F10N8O2
Molecular Weight688.49 g/mol
Exact Mass688.14
IUPAC Name3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)OCc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.FCCc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C14H8F6N4O.C14H10F4N4O/c15-13(16,17)12-22-21-11-6-5-10(23-24(11)12)9-3-1-8(2-4-9)7-25-14(18,19)20;15-6-5-12-20-21-13-7-19-11(8-22(12)13)9-1-3-10(4-2-9)23-14(16,17)18/h1-6H,7H2;1-4,7-8H,5-6H2
InChIKeyIVEYRCYTPTWXFX-UHFFFAOYSA-N
XLogP7.05
TPSA104.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.49
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

E-2212
CID 46854987
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Ksq-4279
CID 150782011
Methyl substituted pyrazole, 27
CID 23648674
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine
CID 134179604

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 142362445) is 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)OCc1ccc(-c2ccc3nnc(C(F)(F)F)n3n2)cc1.FCCc1nnc2cnc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IVEYRCYTPTWXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O.C14H10F4N4O/c15-13(16,17)12-22-21-11-6-5-10(23-24(11)12)9-3-1-8(2-4-9)7-25-14(18,19)20;15-6-5-12-20-21-13-7-19-11(8-22(12)13)9-1-3-10(4-2-9)23-14(16,17)18/h1-6H,7H2;1-4,7-8H,5-6H2.
What are the key properties of 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 688.49 g/mol, XLogP of 7.05, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[4-(trifluoromethoxymethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142362445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).