7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

C24H14Cl2F3N5O — CID 11990288

IUPAC7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1ccc(COc2nn3cnnc3c(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C24H14Cl2F3N5O/c25-17-6-2-15(3-7-17)20-21(16-4-8-18(26)9-5-16)23(33-34-13-31-32-22(20)34)35-12-14-1-10-19(30-11-14)24(27,28)29/h1-11,13H,12H2
InChIKeyWWVOMNVATPLYDJ-UHFFFAOYSA-N
MW516.31 g/mol
LogP6.76
Rot. Bonds5

About 7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine

7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 11990288) has the molecular formula C24H14Cl2F3N5O and a molecular weight of 516.31 g/mol. Its IUPAC name is 7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID11990288
Molecular FormulaC24H14Cl2F3N5O
Molecular Weight516.31 g/mol
Exact Mass515.05
IUPAC Name7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1ccc(COc2nn3cnnc3c(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C24H14Cl2F3N5O/c25-17-6-2-15(3-7-17)20-21(16-4-8-18(26)9-5-16)23(33-34-13-31-32-22(20)34)35-12-14-1-10-19(30-11-14)24(27,28)29/h1-11,13H,12H2
InChIKeyWWVOMNVATPLYDJ-UHFFFAOYSA-N
XLogP6.76
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.31
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 11990288) is 7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1ccc(COc2nn3cnnc3c(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WWVOMNVATPLYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl2F3N5O/c25-17-6-2-15(3-7-17)20-21(16-4-8-18(26)9-5-16)23(33-34-13-31-32-22(20)34)35-12-14-1-10-19(30-11-14)24(27,28)29/h1-11,13H,12H2.
What are the key properties of 7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 516.31 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-bis(4-chlorophenyl)-6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 11990288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).