5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine

C31H22F12N8O4 — CID 142449997

IUPAC5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine
SMILESCOCc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(F)(F)F)c2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(F)(F)F)c2n1
InChIInChI=1S/C16H12F6N4O2.C15H10F6N4O2/c1-27-7-9-6-10(28-16(20,21)22)2-3-11(9)12-4-5-13-14(23-12)26(25-24-13)8-15(17,18)19;1-26-12-6-8(27-15(19,20)21)2-3-9(12)10-4-5-11-13(22-10)25(24-23-11)7-14(16,17)18/h2-6H,7-8H2,1H3;2-6H,7H2,1H3
InChIKeyBTQZMLVZBSCTRK-UHFFFAOYSA-N
MW798.54 g/mol
LogP8.06
Rot. Bonds9

About 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine

5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine (PubChem CID 142449997) has the molecular formula C31H22F12N8O4 and a molecular weight of 798.54 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine
PubChem CID142449997
Molecular FormulaC31H22F12N8O4
Molecular Weight798.54 g/mol
Exact Mass798.16
IUPAC Name5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine
SMILESCOCc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(F)(F)F)c2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(F)(F)F)c2n1
InChIInChI=1S/C16H12F6N4O2.C15H10F6N4O2/c1-27-7-9-6-10(28-16(20,21)22)2-3-11(9)12-4-5-13-14(23-12)26(25-24-13)8-15(17,18)19;1-26-12-6-8(27-15(19,20)21)2-3-9(12)10-4-5-11-13(22-10)25(24-23-11)7-14(16,17)18/h2-6H,7-8H2,1H3;2-6H,7H2,1H3
InChIKeyBTQZMLVZBSCTRK-UHFFFAOYSA-N
XLogP8.06
TPSA124.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.54
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine with MolForge

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Related Compounds

3-[2,2-difluoro-5-(trifluoromethyl)cyclohexyl]-N-[(2,4-dimethoxyphenyl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 177380281
6-(3,5-Dimethoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032838
6-Methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
CID 11235590
5-[2-Methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yltriazolo[4,5-b]pyrazine
CID 11246436
5-[2-Methoxy-4-(trifluoromethoxy)phenyl]-3-[5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-3-yl]-6-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
CID 11251323
1-(1-ethyl-propyl)-5-(2-methoxy-4-trifluoromethoxy-phenyl)-3,6-dimethyl-1 H-pyrazolo[3,4-b]pyrazine
CID 11338773
1-(1-Ethyl-propyl)-5-(2-methoxy-4-trifluoromethoxy-phenyl)-6-methyl-1h-pyrazolo[3,4-b]pyrazine
CID 11395283
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
6-Ethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
CID 59995660
5-[2-Methoxy-4-(trifluoromethoxy)phenyl]-3,6-dimethyl-1-pentan-3-yltriazolo[4,5-b]pyrazin-3-ium
CID 59995679
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N,3-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazin-6-amine
CID 59995683
3-(2,4-Dimethoxybenzyl)-5-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methyl-1,3-dihydro[1,2,5]thiadiazolo[3,4-d]pyrimidine 2,2-dioxide
CID 66634917

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine?
The IUPAC name of 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine (CID 142449997) is 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine?
The canonical SMILES for 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine is COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(F)(F)F)c2n1.COc1cc(OC(F)(F)F)ccc1-c1ccc2nnn(CC(F)(F)F)c2n1.
What is the InChIKey of 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine?
The InChIKey is BTQZMLVZBSCTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N4O2.C15H10F6N4O2/c1-27-7-9-6-10(28-16(20,21)22)2-3-11(9)12-4-5-13-14(23-12)26(25-24-13)8-15(17,18)19;1-26-12-6-8(27-15(19,20)21)2-3-9(12)10-4-5-11-13(22-10)25(24-23-11)7-14(16,17)18/h2-6H,7-8H2,1H3;2-6H,7H2,1H3.
What are the key properties of 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine?
5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine has a molecular weight of 798.54 g/mol, XLogP of 8.06, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(2,2,2-trifluoroethyl)triazolo[4,5-b]pyridine is sourced from PubChem (CID 142449997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).