6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane

C25H26Cl2N4O — CID 143380032

IUPAC6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane
SMILESCC.Clc1ccc(-c2cc3nnc(CC4CCOCC4)n3nc2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H20Cl2N4O.C2H6/c24-17-7-5-16(6-8-17)19-14-22-27-26-21(13-15-9-11-30-12-10-15)29(22)28-23(19)18-3-1-2-4-20(18)25;1-2/h1-8,14-15H,9-13H2;1-2H3
InChIKeyVGERPKCQKPWUAP-UHFFFAOYSA-N
MW469.42 g/mol
LogP6.76
Rot. Bonds4

About 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane

6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane (PubChem CID 143380032) has the molecular formula C25H26Cl2N4O and a molecular weight of 469.42 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane
PubChem CID143380032
Molecular FormulaC25H26Cl2N4O
Molecular Weight469.42 g/mol
Exact Mass468.15
IUPAC Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane
SMILESCC.Clc1ccc(-c2cc3nnc(CC4CCOCC4)n3nc2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H20Cl2N4O.C2H6/c24-17-7-5-16(6-8-17)19-14-22-27-26-21(13-15-9-11-30-12-10-15)29(22)28-23(19)18-3-1-2-4-20(18)25;1-2/h1-8,14-15H,9-13H2;1-2H3
InChIKeyVGERPKCQKPWUAP-UHFFFAOYSA-N
XLogP6.76
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.42
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane with MolForge

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Related Compounds

[3-[6-(2-chlorophenyl)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,1-difluoro-2-methylpropyl]phosphane;ethane
CID 143380078
(4-benzylpiperidin-1-yl)-[6-(2-chlorophenyl)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methanone
CID 11993597
6-(2-chlorophenyl)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carbaldehyde;N,N-dimethylpropan-1-amine;ethane;pentane
CID 143380067
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-cyclohexyl-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 11993502
6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 69222506
[6-(2-chlorophenyl)-7-(4-chlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 11992152
6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 143380056
6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 15603530
7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 21083721
1-chloro-2-(4-chlorophenyl)benzene;dichloromethane
CID 175257983
1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 169148065
3,6-bis(2-chlorophenyl)-4-phenylpyridazine
CID 18874698

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane (CID 143380032) is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The canonical SMILES for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane is CC.Clc1ccc(-c2cc3nnc(CC4CCOCC4)n3nc2-c2ccccc2Cl)cc1.
What is the InChIKey of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
The InChIKey is VGERPKCQKPWUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O.C2H6/c24-17-7-5-16(6-8-17)19-14-22-27-26-21(13-15-9-11-30-12-10-15)29(22)28-23(19)18-3-1-2-4-20(18)25;1-2/h1-8,14-15H,9-13H2;1-2H3.
What are the key properties of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane?
6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane has a molecular weight of 469.42 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-(oxan-4-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine;ethane is sourced from PubChem (CID 143380032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).