5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine

C15H9F6N3O — CID 170265880

IUPAC5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine
SMILESCc1nc(C(F)(F)F)n2nc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIInChI=1S/C15H9F6N3O/c1-8-12-7-6-11(23-24(12)13(22-8)14(16,17)18)9-2-4-10(5-3-9)25-15(19,20)21/h2-7H,1H3
InChIKeyPQHBMOJQFKIATA-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.62
Rot. Bonds2

About 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine

5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine (PubChem CID 170265880) has the molecular formula C15H9F6N3O and a molecular weight of 361.25 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine
PubChem CID170265880
Molecular FormulaC15H9F6N3O
Molecular Weight361.25 g/mol
Exact Mass361.06
IUPAC Name5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine
SMILESCc1nc(C(F)(F)F)n2nc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIInChI=1S/C15H9F6N3O/c1-8-12-7-6-11(23-24(12)13(22-8)14(16,17)18)9-2-4-10(5-3-9)25-15(19,20)21/h2-7H,1H3
InChIKeyPQHBMOJQFKIATA-UHFFFAOYSA-N
XLogP4.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-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

6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157123963
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 134543895
8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555655
6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-8-carboxamide
CID 134555509
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
CID 142362262
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235
1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine
CID 62646957
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862
3-methyl-5-[4-(trifluoromethoxy)phenyl]triazolo[1,5-a]pyridine
CID 146655201
4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine?
The IUPAC name of 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine (CID 170265880) is 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine is Cc1nc(C(F)(F)F)n2nc(-c3ccc(OC(F)(F)F)cc3)ccc12.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine?
The InChIKey is PQHBMOJQFKIATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O/c1-8-12-7-6-11(23-24(12)13(22-8)14(16,17)18)9-2-4-10(5-3-9)25-15(19,20)21/h2-7H,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine?
5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine has a molecular weight of 361.25 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)imidazo[1,5-b]pyridazine is sourced from PubChem (CID 170265880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).