6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C24H14Cl2F3N5O — CID 15603530

IUPAC6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
InChIInChI=1S/C24H14Cl2F3N5O/c25-16-8-6-15(7-9-16)18-11-21-31-33(13-14-5-10-20(30-12-14)24(27,28)29)23(35)34(21)32-22(18)17-3-1-2-4-19(17)26/h1-12H,13H2
InChIKeyGZXBEDUWEIECGN-UHFFFAOYSA-N
MW516.31 g/mol
LogP5.99
Rot. Bonds4

About 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 15603530) has the molecular formula C24H14Cl2F3N5O and a molecular weight of 516.31 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID15603530
Molecular FormulaC24H14Cl2F3N5O
Molecular Weight516.31 g/mol
Exact Mass515.05
IUPAC Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
InChIInChI=1S/C24H14Cl2F3N5O/c25-16-8-6-15(7-9-16)18-11-21-31-33(13-14-5-10-20(30-12-14)24(27,28)29)23(35)34(21)32-22(18)17-3-1-2-4-19(17)26/h1-12H,13H2
InChIKeyGZXBEDUWEIECGN-UHFFFAOYSA-N
XLogP5.99
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.31
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 15603530) is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1n(Cc2ccc(C(F)(F)F)nc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12.
What is the InChIKey of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is GZXBEDUWEIECGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3N5O/c25-16-8-6-15(7-9-16)18-11-21-31-33(13-14-5-10-20(30-12-14)24(27,28)29)23(35)34(21)32-22(18)17-3-1-2-4-19(17)26/h1-12H,13H2.
What are the key properties of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 516.31 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 15603530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).