8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

C19H13Cl2N5O — CID 134797595

IUPAC8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)c3nncn3n2)cc1
InChIInChI=1S/C19H13Cl2N5O/c1-11-2-5-13(6-3-11)23-19(27)17-9-15(18-24-22-10-26(18)25-17)14-7-4-12(20)8-16(14)21/h2-10H,1H3,(H,23,27)
InChIKeyGIIUQQXHTONTQL-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.66
Rot. Bonds3

About 8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide

8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (PubChem CID 134797595) has the molecular formula C19H13Cl2N5O and a molecular weight of 398.25 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
PubChem CID134797595
Molecular FormulaC19H13Cl2N5O
Molecular Weight398.25 g/mol
Exact Mass397.05
IUPAC Name8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)c3nncn3n2)cc1
InChIInChI=1S/C19H13Cl2N5O/c1-11-2-5-13(6-3-11)23-19(27)17-9-15(18-24-22-10-26(18)25-17)14-7-4-12(20)8-16(14)21/h2-10H,1H3,(H,23,27)
InChIKeyGIIUQQXHTONTQL-UHFFFAOYSA-N
XLogP4.66
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 134800603
2,5-dichloro-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 4679677
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
2-bromo-4-chloro-N-(4-methylphenyl)benzamide
CID 103763138
N-(4-chlorophenyl)-5-(2,5-dimethylthiophen-3-yl)-1-methylpyrazole-3-carboxamide
CID 42878933
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
CID 62165915
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 46104896
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The IUPAC name of 8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide (CID 134797595) is 8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The canonical SMILES for 8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)c3nncn3n2)cc1.
What is the InChIKey of 8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
The InChIKey is GIIUQQXHTONTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O/c1-11-2-5-13(6-3-11)23-19(27)17-9-15(18-24-22-10-26(18)25-17)14-7-4-12(20)8-16(14)21/h2-10H,1H3,(H,23,27).
What are the key properties of 8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide?
8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide has a molecular weight of 398.25 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide is sourced from PubChem (CID 134797595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).