6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C19H15FN4O — CID 53354555

IUPAC6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccccc1-c1nnc2ccc(-c3ccc(C)c(F)c3)nn12
InChIInChI=1S/C19H15FN4O/c1-12-7-8-13(11-15(12)20)16-9-10-18-21-22-19(24(18)23-16)14-5-3-4-6-17(14)25-2/h3-11H,1-2H3
InChIKeyARJJBNUTVIROPH-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.91
Rot. Bonds3

About 6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53354555) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53354555
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccccc1-c1nnc2ccc(-c3ccc(C)c(F)c3)nn12
InChIInChI=1S/C19H15FN4O/c1-12-7-8-13(11-15(12)20)16-9-10-18-21-22-19(24(18)23-16)14-5-3-4-6-17(14)25-2/h3-11H,1-2H3
InChIKeyARJJBNUTVIROPH-UHFFFAOYSA-N
XLogP3.91
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-((6-Phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
2-(2-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 2818819
7-{2-[(4-Fluorobenzyl)oxy]phenyl}[1,2,4]triazolo[1,5-a]pyrimidine
CID 3844416
5-(4-Methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 661730
3,6-Bis(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 1968501
6-Methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 754096
6-Methoxy-3-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-b]pyridazine
CID 2775307
3-(5-(3-amino-3-methylbutyl)-2-methoxyphenyl)-N-(2,4-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11510421
3-(5-(3-amino-3-methylbut-1-ynyl)-2-methoxyphenyl)-N-(2,4-difluorophenyl)-1H-pyrazolo[3,4-b]pyridin-6-amine
CID 11568224
5-Butyl-2-(4-methoxy-phenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 17863152

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 53354555) is 6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccccc1-c1nnc2ccc(-c3ccc(C)c(F)c3)nn12.
What is the InChIKey of 6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ARJJBNUTVIROPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-12-7-8-13(11-15(12)20)16-9-10-18-21-22-19(24(18)23-16)14-5-3-4-6-17(14)25-2/h3-11H,1-2H3.
What are the key properties of 6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 334.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methylphenyl)-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53354555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).