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

C29H22F12N10O2 — CID 142362507

IUPACethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC.CC(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C14H10F5N5O.C13H6F7N5O.C2H6/c1-7(15)12-23-22-11-4-20-10(5-24(11)12)8-2-9(16)13(21-3-8)25-6-14(17,18)19;14-7-1-6(2-22-10(7)26-5-12(15,16)17)8-4-25-9(3-21-8)23-24-11(25)13(18,19)20;1-2/h2-5,7H,6H2,1H3;1-4H,5H2;1-2H3
InChIKeyRYXJXOMKOSFDBO-UHFFFAOYSA-N
MW770.54 g/mol
LogP7.61
Rot. Bonds7

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

ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 142362507) has the molecular formula C29H22F12N10O2 and a molecular weight of 770.54 g/mol. Its IUPAC name is ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Nameethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID142362507
Molecular FormulaC29H22F12N10O2
Molecular Weight770.54 g/mol
Exact Mass770.17
IUPAC Nameethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC.CC(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C14H10F5N5O.C13H6F7N5O.C2H6/c1-7(15)12-23-22-11-4-20-10(5-24(11)12)8-2-9(16)13(21-3-8)25-6-14(17,18)19;14-7-1-6(2-22-10(7)26-5-12(15,16)17)8-4-25-9(3-21-8)23-24-11(25)13(18,19)20;1-2/h2-5,7H,6H2,1H3;1-4H,5H2;1-2H3
InChIKeyRYXJXOMKOSFDBO-UHFFFAOYSA-N
XLogP7.61
TPSA130.40 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500770.54
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

US10399985, Example 36
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US10399985, Example 45
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Prax-562
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12-Methoxy-5-methyl-3-(4-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46198546
12-Methoxy-5-methyl-3-(5-methyl-3-pyridinyl)-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
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N-(1-methyl-1H-pyrazol-5-yl)-4-(9-(3,3,3-trifluoropropyl)-8,9-dihydro-7H-6-oxa-1,2,2a1-triazabenzo[cd]azulen-4-yl)pyrimidin-2-amine
CID 118143248
4-(3-(4-fluorobenzyl)-3,4-dihydro-5-oxa-1,2,2a1-triazaacenaphthylen-7-yl)-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine
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Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 142362507) is ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC.CC(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OCC(F)(F)F.
What is the InChIKey of ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RYXJXOMKOSFDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N5O.C13H6F7N5O.C2H6/c1-7(15)12-23-22-11-4-20-10(5-24(11)12)8-2-9(16)13(21-3-8)25-6-14(17,18)19;14-7-1-6(2-22-10(7)26-5-12(15,16)17)8-4-25-9(3-21-8)23-24-11(25)13(18,19)20;1-2/h2-5,7H,6H2,1H3;1-4H,5H2;1-2H3.
What are the key properties of ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 770.54 g/mol, XLogP of 7.61, 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-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 142362507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).