3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C29H19F11N8O3 — CID 142362446

IUPAC3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOCc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)ccc1OC(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1
InChIInChI=1S/C15H10F6N4O2.C14H9F5N4O/c1-26-7-9-6-8(2-4-11(9)27-15(19,20)21)10-3-5-12-22-23-13(14(16,17)18)25(12)24-10;1-7-6-8(24-14(17,18)19)2-3-9(7)10-4-5-11-20-21-13(12(15)16)23(11)22-10/h2-6H,7H2,1H3;2-6,12H,1H3
InChIKeyQJLWBDIKXHXYKO-UHFFFAOYSA-N
MW736.50 g/mol
LogP7.79
Rot. Bonds7

About 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142362446) has the molecular formula C29H19F11N8O3 and a molecular weight of 736.50 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142362446
Molecular FormulaC29H19F11N8O3
Molecular Weight736.50 g/mol
Exact Mass736.14
IUPAC Name3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOCc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)ccc1OC(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1
InChIInChI=1S/C15H10F6N4O2.C14H9F5N4O/c1-26-7-9-6-8(2-4-11(9)27-15(19,20)21)10-3-5-12-22-23-13(14(16,17)18)25(12)24-10;1-7-6-8(24-14(17,18)19)2-3-9(7)10-4-5-11-20-21-13(12(15)16)23(11)22-10/h2-6H,7H2,1H3;2-6,12H,1H3
InChIKeyQJLWBDIKXHXYKO-UHFFFAOYSA-N
XLogP7.79
TPSA113.85 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500736.50
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

3-(4-Methoxyphenyl)-2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2212299
2-Methyl-5-{4-[(3-methylbenzyl)oxy]phenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 7341291
2-Methyl-5-{4-[(2-methylbenzyl)oxy]phenyl}-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 8057486
3-(4-Methoxy-3-methylphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 145955533
6-(3,4-Dimethoxyphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 44194642
3-(Difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555623
5-(3-Methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1288372
3-(3,4-Dimethoxyphenyl)-2-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 15991498
7-(4-Methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-methylpyrazol-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 53330827
3-(4-methoxyphenyl)-1,6-diphenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 3541466
3-(Trifluoromethyl)-6-(p-anisyl)-1,2,4-triazolo[4,3-b]pyridazine
CID 76314856
3-[[(2R)-oxan-2-yl]methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134543541

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 142362446) is 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is COCc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)ccc1OC(F)(F)F.Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)F)n2n1.
What is the InChIKey of 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is QJLWBDIKXHXYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N4O2.C14H9F5N4O/c1-26-7-9-6-8(2-4-11(9)27-15(19,20)21)10-3-5-12-22-23-13(14(16,17)18)25(12)24-10;1-7-6-8(24-14(17,18)19)2-3-9(7)10-4-5-11-20-21-13(12(15)16)23(11)22-10/h2-6H,7H2,1H3;2-6,12H,1H3.
What are the key properties of 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 736.50 g/mol, XLogP of 7.79, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142362446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).