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

C36H40F8N8O4 — CID 142362330

IUPACethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC.CC.COCc1cc(-c2ccc3nnc(C(C)F)n3n2)ccc1OC(F)(F)F.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1
InChIInChI=1S/2C16H14F4N4O2.2C2H6/c1-9(17)15-22-21-14-6-4-12(23-24(14)15)10-3-5-13(26-16(18,19)20)11(7-10)8-25-2;1-9(17)15-22-21-14-6-5-13(23-24(14)15)12-4-3-11(26-16(18,19)20)7-10(12)8-25-2;2*1-2/h2*3-7,9H,8H2,1-2H3;2*1-2H3
InChIKeyHWEBNPKUZGGNTL-UHFFFAOYSA-N
MW800.75 g/mol
LogP9.79
Rot. Bonds10

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

ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142362330) has the molecular formula C36H40F8N8O4 and a molecular weight of 800.75 g/mol. Its IUPAC name is ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[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-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142362330
Molecular FormulaC36H40F8N8O4
Molecular Weight800.75 g/mol
Exact Mass800.30
IUPAC Nameethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC.CC.COCc1cc(-c2ccc3nnc(C(C)F)n3n2)ccc1OC(F)(F)F.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1
InChIInChI=1S/2C16H14F4N4O2.2C2H6/c1-9(17)15-22-21-14-6-4-12(23-24(14)15)10-3-5-13(26-16(18,19)20)11(7-10)8-25-2;1-9(17)15-22-21-14-6-5-13(23-24(14)15)12-4-3-11(26-16(18,19)20)7-10(12)8-25-2;2*1-2/h2*3-7,9H,8H2,1-2H3;2*1-2H3
InChIKeyHWEBNPKUZGGNTL-UHFFFAOYSA-N
XLogP9.79
TPSA123.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500800.75
LogP ≤ 59.79
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-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Difluoromethyl)-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555623
6-[3-(Methoxymethyl)-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555502
10-(4-Methoxy-2-methylphenyl)-11-methyl-2-[3-(trifluoromethyl)phenyl]-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 10113958
6-[2-Methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 50905540
3-Isopropyl-6-(2-methyl-4-(trifluoromethoxy)phenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 50905754
4-[6-[2-Methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile
CID 50905759
3-[6-[2-Methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile
CID 58118980
2-[6-[2-Methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile
CID 66925681
6-(4-Methoxyphenyl)-3-[2-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 68115789
3-Ethyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 70791746
6-[2,4-Bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;5-ethyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 87178670
3-[6-[4-(1,1-Difluoroethoxy)-2-methylphenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]benzonitrile
CID 130184459

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-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[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-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 142362330) is ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[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-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[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-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is CC.CC.COCc1cc(-c2ccc3nnc(C(C)F)n3n2)ccc1OC(F)(F)F.COCc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(C)F)n2n1.
What is the InChIKey of ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HWEBNPKUZGGNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14F4N4O2.2C2H6/c1-9(17)15-22-21-14-6-4-12(23-24(14)15)10-3-5-13(26-16(18,19)20)11(7-10)8-25-2;1-9(17)15-22-21-14-6-5-13(23-24(14)15)12-4-3-11(26-16(18,19)20)7-10(12)8-25-2;2*1-2/h2*3-7,9H,8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine?
ethane;3-(1-fluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 800.75 g/mol, XLogP of 9.79, 10 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-b]pyridazine;3-(1-fluoroethyl)-6-[3-(methoxymethyl)-4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142362330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).