3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine

C17H9ClF2N4O — CID 89479520

IUPAC3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cccc(-c2ccc(F)cc2Oc2ccc3nnc(Cl)n3n2)c1
InChIInChI=1S/C17H9ClF2N4O/c18-17-22-21-15-6-7-16(23-24(15)17)25-14-9-12(20)4-5-13(14)10-2-1-3-11(19)8-10/h1-9H
InChIKeyWCFWGMBBPNZICI-UHFFFAOYSA-N
MW358.74 g/mol
LogP4.52
Rot. Bonds3

About 3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine

3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 89479520) has the molecular formula C17H9ClF2N4O and a molecular weight of 358.74 g/mol. Its IUPAC name is 3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID89479520
Molecular FormulaC17H9ClF2N4O
Molecular Weight358.74 g/mol
Exact Mass358.04
IUPAC Name3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cccc(-c2ccc(F)cc2Oc2ccc3nnc(Cl)n3n2)c1
InChIInChI=1S/C17H9ClF2N4O/c18-17-22-21-15-6-7-16(23-24(15)17)25-14-9-12(20)4-5-13(14)10-2-1-3-11(19)8-10/h1-9H
InChIKeyWCFWGMBBPNZICI-UHFFFAOYSA-N
XLogP4.52
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.74
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 89479958
3-chloro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67524771
N-[[3-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-phenylphenyl]methyl]-N-ethylethanamine
CID 89479811
5-[2-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]phenyl]-1,3-benzothiazole
CID 71542997
2-[3-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-phenylphenyl]-4-phenylbutan-2-amine
CID 89479589
N,N-dibutyl-4-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-3-phenylaniline
CID 89479806
3-chloro-6-[4-[(4-methylpiperazin-1-yl)methyl]-2-phenylphenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 89479541
3-chloro-6-[2-(3-methylphenyl)cyclohexa-1,3-dien-1-yl]oxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 155196533
1-fluoro-3-(2-phenoxyphenyl)benzene
CID 56979029
3-chloro-6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67525499
3-chloro-6-propan-2-yloxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 70613182
3-chloro-6-cycloheptyloxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 68761447

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 89479520) is 3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine is Fc1cccc(-c2ccc(F)cc2Oc2ccc3nnc(Cl)n3n2)c1.
What is the InChIKey of 3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WCFWGMBBPNZICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF2N4O/c18-17-22-21-15-6-7-16(23-24(15)17)25-14-9-12(20)4-5-13(14)10-2-1-3-11(19)8-10/h1-9H.
What are the key properties of 3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 358.74 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[5-fluoro-2-(3-fluorophenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 89479520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).