ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C33H30F10N10O2 — CID 142362380

About ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 142362380) has the molecular formula C33H30F10N10O2 and a molecular weight of 788.65 g/mol. Its IUPAC name is ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 142362380
• Molecular Formula: C33H30F10N10O2
• Molecular Weight: 788.65 g/mol
• Exact Mass: 788.24
• IUPAC Name: ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CC.CC(F)c1nnc2cnc(-c3cnc(OC(C)C(F)(F)F)c(F)c3)cn12.CC1(F)CC(Oc2ncc(-c3cn4c(C(F)(F)F)nnc4cn3)cc2F)C1
• InChI: InChI=1S/C16H12F5N5O.C15H12F5N5O.C2H6/c1-15(18)3-9(4-15)27-13-10(17)2-8(5-23-13)11-7-26-12(6-22-11)24-25-14(26)16(19,20)21;1-7(16)13-24-23-12-5-21-11(6-25(12)13)9-3-10(17)14(22-4-9)26-8(2)15(18,19)20;1-2/h2,5-7,9H,3-4H2,1H3;3-8H,1-2H3;1-2H3
• InChIKey: SQHNTYFGNNHNNG-UHFFFAOYSA-N
• XLogP: 8.33
• TPSA: 130.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	788.65
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 142362380) is ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC.CC(F)c1nnc2cnc(-c3cnc(OC(C)C(F)(F)F)c(F)c3)cn12.CC1(F)CC(Oc2ncc(-c3cn4c(C(F)(F)F)nnc4cn3)cc2F)C1.

What is the InChIKey of ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is SQHNTYFGNNHNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N5O.C15H12F5N5O.C2H6/c1-15(18)3-9(4-15)27-13-10(17)2-8(5-23-13)11-7-26-12(6-22-11)24-25-14(26)16(19,20)21;1-7(16)13-24-23-12-5-21-11(6-25(12)13)9-3-10(17)14(22-4-9)26-8(2)15(18,19)20;1-2/h2,5-7,9H,3-4H2,1H3;3-8H,1-2H3;1-2H3.

What are the key properties of ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?

ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 788.65 g/mol, XLogP of 8.33, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(3-fluoro-3-methylcyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 142362380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).