3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

C21H16FN7O — CID 54421662

IUPAC3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1-c1ccccc1
InChIInChI=1S/C21H16FN7O/c1-28-19(23-13-24-28)12-30-21-16(14-7-3-2-4-8-14)11-18-25-26-20(29(18)27-21)15-9-5-6-10-17(15)22/h2-11,13H,12H2,1H3
InChIKeyWBGFZYZIMGCWRS-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.30
Rot. Bonds5

About 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 54421662) has the molecular formula C21H16FN7O and a molecular weight of 401.41 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID54421662
Molecular FormulaC21H16FN7O
Molecular Weight401.41 g/mol
Exact Mass401.14
IUPAC Name3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1-c1ccccc1
InChIInChI=1S/C21H16FN7O/c1-28-19(23-13-24-28)12-30-21-16(14-7-3-2-4-8-14)11-18-25-26-20(29(18)27-21)15-9-5-6-10-17(15)22/h2-11,13H,12H2,1H3
InChIKeyWBGFZYZIMGCWRS-UHFFFAOYSA-N
XLogP3.30
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-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

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 54421662) is 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is Cn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1-c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WBGFZYZIMGCWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7O/c1-28-19(23-13-24-28)12-30-21-16(14-7-3-2-4-8-14)11-18-25-26-20(29(18)27-21)15-9-5-6-10-17(15)22/h2-11,13H,12H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 401.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 54421662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).