ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C33H30F10N8O4 — CID 142362317

IUPACethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.COCc1cc2nnc(C(F)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F4N4O2.C15H10F6N4O2.C2H6/c1-9(17)15-23-22-14-6-21-13(7-24(14)15)12-4-3-11(26-16(18,19)20)5-10(12)8-25-2;1-26-7-9-6-11-22-23-13(14(16,17)18)25(11)24-12(9)8-2-4-10(5-3-8)27-15(19,20)21;1-2/h3-7,9H,8H2,1-2H3;2-6H,7H2,1H3;1-2H3
InChIKeyWDFHUMQZWBKFBS-UHFFFAOYSA-N
MW792.63 g/mol
LogP8.75
Rot. Bonds9

About ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142362317) has the molecular formula C33H30F10N8O4 and a molecular weight of 792.63 g/mol. Its IUPAC name is ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Nameethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142362317
Molecular FormulaC33H30F10N8O4
Molecular Weight792.63 g/mol
Exact Mass792.22
IUPAC Nameethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.COCc1cc2nnc(C(F)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H14F4N4O2.C15H10F6N4O2.C2H6/c1-9(17)15-23-22-14-6-21-13(7-24(14)15)12-4-3-11(26-16(18,19)20)5-10(12)8-25-2;1-26-7-9-6-11-22-23-13(14(16,17)18)25(11)24-12(9)8-2-4-10(5-3-8)27-15(19,20)21;1-2/h3-7,9H,8H2,1-2H3;2-6H,7H2,1H3;1-2H3
InChIKeyWDFHUMQZWBKFBS-UHFFFAOYSA-N
XLogP8.75
TPSA123.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500792.63
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
Methyl substituted pyrazole, 27
CID 23648674
3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879520
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883
6-(2-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179844
Lmtk3-IN-1
CID 138454301
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 6419809
4-[2-[3-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11259074
N-((1-ethylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25025645
2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144373
3-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridine
CID 42634049
7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-[(4-methoxyphenyl)methoxymethyl]pyrazolo[3,4-b]pyridine
CID 42634050

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 142362317) is ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)F)nnc2cn1.COCc1cc2nnc(C(F)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WDFHUMQZWBKFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N4O2.C15H10F6N4O2.C2H6/c1-9(17)15-23-22-14-6-21-13(7-24(14)15)12-4-3-11(26-16(18,19)20)5-10(12)8-25-2;1-26-7-9-6-11-22-23-13(14(16,17)18)25(11)24-12(9)8-2-4-10(5-3-8)27-15(19,20)21;1-2/h3-7,9H,8H2,1-2H3;2-6H,7H2,1H3;1-2H3.
What are the key properties of ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 792.63 g/mol, XLogP of 8.75, 9 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-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;7-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142362317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).