N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide

C24H15F3N6O — CID 16821306

IUPACN-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H15F3N6O/c25-24(26,27)18-5-1-4-17(13-18)23(34)29-19-6-2-3-16(14-19)20-7-8-21-30-31-22(33(21)32-20)15-9-11-28-12-10-15/h1-14H,(H,29,34)
InChIKeyROMYAYFAPCIQBD-UHFFFAOYSA-N
MW460.42 g/mol
LogP5.12
Rot. Bonds4

About N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 16821306) has the molecular formula C24H15F3N6O and a molecular weight of 460.42 g/mol. Its IUPAC name is N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID16821306
Molecular FormulaC24H15F3N6O
Molecular Weight460.42 g/mol
Exact Mass460.13
IUPAC NameN-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H15F3N6O/c25-24(26,27)18-5-1-4-17(13-18)23(34)29-19-6-2-3-16(14-19)20-7-8-21-30-31-22(33(21)32-20)15-9-11-28-12-10-15/h1-14H,(H,29,34)
InChIKeyROMYAYFAPCIQBD-UHFFFAOYSA-N
XLogP5.12
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873318
3-nitroso-N-[3-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 143710833
6-oxo-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyran-3-carboxamide
CID 121036477
3,4-diethoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873297
2-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 16873265
2-chloro-4-fluoro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036443
2-methylsulfanyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 121036442
2-chloro-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-carboxamide
CID 16873284
2-methoxy-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]acetamide
CID 7532694
3-methyl-N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]butanamide
CID 7532699
3-methyl-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532492
N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]naphthalene-2-carboxamide
CID 16873455

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 16821306) is N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2ccc3nnc(-c4ccncc4)n3n2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ROMYAYFAPCIQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O/c25-24(26,27)18-5-1-4-17(13-18)23(34)29-19-6-2-3-16(14-19)20-7-8-21-30-31-22(33(21)32-20)15-9-11-28-12-10-15/h1-14H,(H,29,34).
What are the key properties of N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 460.42 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 16821306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).