2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide

C24H23Cl2N5O2 — CID 59716599

IUPAC2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)n1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn2c1=O
InChIInChI=1S/C24H23Cl2N5O2/c1-14(2)12-20(23(32)27-3)30-24(33)31-22(29-30)21(16-6-10-18(26)11-7-16)19(13-28-31)15-4-8-17(25)9-5-15/h4-11,13-14,20H,12H2,1-3H3,(H,27,32)
InChIKeyREXUFZFHQFFFHE-UHFFFAOYSA-N
MW484.39 g/mol
LogP4.86
Rot. Bonds6

About 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide

2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide (PubChem CID 59716599) has the molecular formula C24H23Cl2N5O2 and a molecular weight of 484.39 g/mol. Its IUPAC name is 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide
PubChem CID59716599
Molecular FormulaC24H23Cl2N5O2
Molecular Weight484.39 g/mol
Exact Mass483.12
IUPAC Name2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)n1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn2c1=O
InChIInChI=1S/C24H23Cl2N5O2/c1-14(2)12-20(23(32)27-3)30-24(33)31-22(29-30)21(16-6-10-18(26)11-7-16)19(13-28-31)15-4-8-17(25)9-5-15/h4-11,13-14,20H,12H2,1-3H3,(H,27,32)
InChIKeyREXUFZFHQFFFHE-UHFFFAOYSA-N
XLogP4.86
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide with MolForge

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Related Compounds

7,8-bis(4-chlorophenyl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716854
7,8-bis(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11988882
2-methylpropyl 4-[[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]methyl]benzoate
CID 59716777
7,8-bis(4-chlorophenyl)-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716793
7,8-bis(4-chlorophenyl)-2-(2-hydroxyhexyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 69198040
N-[4-[[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]methyl]phenyl]sulfonylacetamide
CID 59716845
7,8-bis(4-chlorophenyl)-2-[(4-phenylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11990330
4-[8-(4-chlorophenyl)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]benzoic acid
CID 59716887
7,8-bis(4-chlorophenyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716828
7,8-bis(4-chlorophenyl)-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716853
7-(4-chlorophenyl)-8-pyridin-4-yl-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 11988751
7-(4-chlorophenyl)-8-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 59716916

Frequently Asked Questions

What is the IUPAC name of 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide?
The IUPAC name of 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide (CID 59716599) is 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)n1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)cnn2c1=O.
What is the InChIKey of 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide?
The InChIKey is REXUFZFHQFFFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O2/c1-14(2)12-20(23(32)27-3)30-24(33)31-22(29-30)21(16-6-10-18(26)11-7-16)19(13-28-31)15-4-8-17(25)9-5-15/h4-11,13-14,20H,12H2,1-3H3,(H,27,32).
What are the key properties of 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide?
2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide has a molecular weight of 484.39 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7,8-bis(4-chlorophenyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N,4-dimethylpentanamide is sourced from PubChem (CID 59716599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).