7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine

C25H18ClF3N4O — CID 141120544

IUPAC7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1ccc(CN2CN3N=CC(c4ccc(Cl)cc4)=C(Oc4ccccc4)C3=N2)cc1
InChIInChI=1S/C25H18ClF3N4O/c26-20-12-8-18(9-13-20)22-14-30-33-16-32(15-17-6-10-19(11-7-17)25(27,28)29)31-24(33)23(22)34-21-4-2-1-3-5-21/h1-14H,15-16H2
InChIKeyVCVWEALEDPGHQJ-UHFFFAOYSA-N
MW482.89 g/mol
LogP6.24
Rot. Bonds5

About 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine

7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 141120544) has the molecular formula C25H18ClF3N4O and a molecular weight of 482.89 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID141120544
Molecular FormulaC25H18ClF3N4O
Molecular Weight482.89 g/mol
Exact Mass482.11
IUPAC Name7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1ccc(CN2CN3N=CC(c4ccc(Cl)cc4)=C(Oc4ccccc4)C3=N2)cc1
InChIInChI=1S/C25H18ClF3N4O/c26-20-12-8-18(9-13-20)22-14-30-33-16-32(15-17-6-10-19(11-7-17)25(27,28)29)31-24(33)23(22)34-21-4-2-1-3-5-21/h1-14H,15-16H2
InChIKeyVCVWEALEDPGHQJ-UHFFFAOYSA-N
XLogP6.24
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.89
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[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

4-[(E)-(4-chlorophenyl)methylideneamino]-5-(4-fluoro-3-phenoxyphenyl)-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione
CID 139198041
7,8-Bis(4-chlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11988493
7,8-Bis(4-chlorophenyl)-2-[[4-(difluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11988611
8-(4-Chlorophenyl)-7-(4-methoxyphenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11988613
8-(4-Chlorophenyl)-7-(3-methoxyphenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11990082
8-(2-Chlorophenoxy)-7-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716516
8-(3-Chlorophenoxy)-7-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716520
7,8-Bis(4-chlorophenyl)-2-[[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716532
8-(4-Chlorophenyl)-7-(2-fluoro-4-methoxyphenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716552
8-(4-Chlorophenoxy)-7-(4-chlorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716570
2-(4-(Trifluoromethyl)benzyl)-8-(benzyloxy)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
CID 59716593
7,8-Bis(4-chlorophenyl)-2-[2-(4-fluorophenoxy)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716602

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine (CID 141120544) is 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1ccc(CN2CN3N=CC(c4ccc(Cl)cc4)=C(Oc4ccccc4)C3=N2)cc1.
What is the InChIKey of 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VCVWEALEDPGHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N4O/c26-20-12-8-18(9-13-20)22-14-30-33-16-32(15-17-6-10-19(11-7-17)25(27,28)29)31-24(33)23(22)34-21-4-2-1-3-5-21/h1-14H,15-16H2.
What are the key properties of 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine?
7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 482.89 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-8-phenoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 141120544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).