6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C19H15F3N4O — CID 109117791

IUPAC6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-6-8-15(9-7-14)24-18(27)16-10-11-17(26-25-16)23-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,26)(H,24,27)
InChIKeyPBTUANZONAQSHG-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.36
Rot. Bonds5

About 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109117791) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109117791
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-6-8-15(9-7-14)24-18(27)16-10-11-17(26-25-16)23-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,26)(H,24,27)
InChIKeyPBTUANZONAQSHG-UHFFFAOYSA-N
XLogP4.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide 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

6-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109121320
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
6-(pentylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125420
6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109117824
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
CID 133313960
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
6-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109350226

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109117791) is 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCc2ccccc2)nn1.
What is the InChIKey of 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is PBTUANZONAQSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)14-6-8-15(9-7-14)24-18(27)16-10-11-17(26-25-16)23-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,26)(H,24,27).
What are the key properties of 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109117791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).