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

C19H15FN4O2 — CID 53354667

IUPAC3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2ccc3nnc(-c4ccc(F)cc4OC)n3n2)cc1
InChIInChI=1S/C19H15FN4O2/c1-25-14-6-3-12(4-7-14)16-9-10-18-21-22-19(24(18)23-16)15-8-5-13(20)11-17(15)26-2/h3-11H,1-2H3
InChIKeyZRFQTQHQWFOBGP-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.61
Rot. Bonds4

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

3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53354667) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53354667
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2ccc3nnc(-c4ccc(F)cc4OC)n3n2)cc1
InChIInChI=1S/C19H15FN4O2/c1-25-14-6-3-12(4-7-14)16-9-10-18-21-22-19(24(18)23-16)15-8-5-13(20)11-17(15)26-2/h3-11H,1-2H3
InChIKeyZRFQTQHQWFOBGP-UHFFFAOYSA-N
XLogP3.61
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Triazolopyridazine, 18
CID 42647289
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
4-((6-Phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
Triazolopyridazine, 17
CID 44143459
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[4-methoxy-3-(2H-tetrazol-5-yl)phenyl]pyrimidin-4-amine
CID 53325847
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
Anitrazafen
CID 44410
N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 118731295
N,N-diethyl-2-[2-[4-[(3-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 118731296
N,N-diethyl-2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 118731297
2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
CID 127048799

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 53354667) is 3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(-c2ccc3nnc(-c4ccc(F)cc4OC)n3n2)cc1.
What is the InChIKey of 3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZRFQTQHQWFOBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-25-14-6-3-12(4-7-14)16-9-10-18-21-22-19(24(18)23-16)15-8-5-13(20)11-17(15)26-2/h3-11H,1-2H3.
What are the key properties of 3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 350.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methoxyphenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53354667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).