6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C51H44F7N19O3 — CID 160643350

IUPAC6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1ccc(-c2nnn(-c3ccc4nnc(C(F)(F)F)n4n3)n2)cc1.COc1cc(OC)c(C2=CCN(c3ccc4nnc(C)n4n3)CC2)c(OC)c1.Fc1ccc(-c2cn(-c3ccc4nnc(C(F)(F)F)n4n3)cn2)cc1
InChIInChI=1S/C20H23N5O3.C16H13F3N8.C15H8F4N6/c1-13-21-22-18-5-6-19(23-25(13)18)24-9-7-14(8-10-24)20-16(27-3)11-15(26-2)12-17(20)28-4;1-9(2)10-3-5-11(6-4-10)14-21-25-27(24-14)13-8-7-12-20-22-15(16(17,18)19)26(12)23-13;16-10-3-1-9(2-4-10)11-7-24(8-20-11)13-6-5-12-21-22-14(15(17,18)19)25(12)23-13/h5-7,11-12H,8-10H2,1-4H3;3-9H,1-2H3;1-8H
InChIKeyRJLVICLWPJCLHY-UHFFFAOYSA-N
MW1104.03 g/mol
LogP8.80
Rot. Bonds10

About 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 160643350) has the molecular formula C51H44F7N19O3 and a molecular weight of 1104.03 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID160643350
Molecular FormulaC51H44F7N19O3
Molecular Weight1104.03 g/mol
Exact Mass1103.38
IUPAC Name6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1ccc(-c2nnn(-c3ccc4nnc(C(F)(F)F)n4n3)n2)cc1.COc1cc(OC)c(C2=CCN(c3ccc4nnc(C)n4n3)CC2)c(OC)c1.Fc1ccc(-c2cn(-c3ccc4nnc(C(F)(F)F)n4n3)cn2)cc1
InChIInChI=1S/C20H23N5O3.C16H13F3N8.C15H8F4N6/c1-13-21-22-18-5-6-19(23-25(13)18)24-9-7-14(8-10-24)20-16(27-3)11-15(26-2)12-17(20)28-4;1-9(2)10-3-5-11(6-4-10)14-21-25-27(24-14)13-8-7-12-20-22-15(16(17,18)19)26(12)23-13;16-10-3-1-9(2-4-10)11-7-24(8-20-11)13-6-5-12-21-22-14(15(17,18)19)25(12)23-13/h5-7,11-12H,8-10H2,1-4H3;3-9H,1-2H3;1-8H
InChIKeyRJLVICLWPJCLHY-UHFFFAOYSA-N
XLogP8.80
TPSA221.59 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001104.03
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

9-(2,4-Dimethoxybenzyl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7-[2-(morpholin-4-yl)ethyl]-7,9-dihydro-8H-purin-8-one
CID 66634890
9-(2,4-Dimethoxybenzyl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-7-(2,2,3,3,3-pentafluoropropyl)-7,9-dihydro-8H-purin-8-one
CID 86720058
1-[8-(4-Fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(5-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hydrazine
CID 123142615
3-(1,1-Difluoroethyl)-6-[4-(2-methoxypropan-2-yl)phenyl]imidazo[1,5-a]pyridine;3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane
CID 142362264
3-(1,1-Difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 142362282
6-[4-(2-Methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 142362285
3-(Difluoromethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[4-(2-methoxypropan-2-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;6-[2-methyl-5-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362304
3-(2,2-Difluoropropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(3-fluoropropyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362325
3-(1,1-Difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane;6-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362335
3-(1,1-Difluoroethyl)-6-[2-fluoro-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[2-methyl-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;ethane
CID 142362341
3-(1,1-Difluoroethyl)-6-[4-(trifluoromethoxymethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane;3-(2-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362358
3-(1-Fluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]cyclobutane-1-carbonitrile;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 142362378

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 160643350) is 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)c1ccc(-c2nnn(-c3ccc4nnc(C(F)(F)F)n4n3)n2)cc1.COc1cc(OC)c(C2=CCN(c3ccc4nnc(C)n4n3)CC2)c(OC)c1.Fc1ccc(-c2cn(-c3ccc4nnc(C(F)(F)F)n4n3)cn2)cc1.
What is the InChIKey of 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RJLVICLWPJCLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3.C16H13F3N8.C15H8F4N6/c1-13-21-22-18-5-6-19(23-25(13)18)24-9-7-14(8-10-24)20-16(27-3)11-15(26-2)12-17(20)28-4;1-9(2)10-3-5-11(6-4-10)14-21-25-27(24-14)13-8-7-12-20-22-15(16(17,18)19)26(12)23-13;16-10-3-1-9(2-4-10)11-7-24(8-20-11)13-6-5-12-21-22-14(15(17,18)19)25(12)23-13/h5-7,11-12H,8-10H2,1-4H3;3-9H,1-2H3;1-8H.
What are the key properties of 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 1104.03 g/mol, XLogP of 8.80, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)imidazol-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-methyl-6-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 160643350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).