N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

C19H16F3N3O — CID 25023032

IUPACN-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCOc1ccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H16F3N3O/c1-12-10-17(13-4-3-5-14(11-13)19(20,21)22)18(25-24-12)23-15-6-8-16(26-2)9-7-15/h3-11H,1-2H3,(H,23,25)
InChIKeyCSRDRRIAJBLMPS-UHFFFAOYSA-N
MW359.35 g/mol
LogP5.22
Rot. Bonds4

About N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 25023032) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID25023032
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCOc1ccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H16F3N3O/c1-12-10-17(13-4-3-5-14(11-13)19(20,21)22)18(25-24-12)23-15-6-8-16(26-2)9-7-15/h3-11H,1-2H3,(H,23,25)
InChIKeyCSRDRRIAJBLMPS-UHFFFAOYSA-N
XLogP5.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine 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

N-(4-methoxyphenyl)-4-methylphthalazin-1-amine
CID 3124064
4-(4-((4-Methoxyphenyl)amino)phthalazin-1-yl)phenol
CID 1394168
4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
CID 5494639
N-(2,4-dimethoxyphenyl)-6-(2-fluorophenyl)pyridazin-3-amine
CID 653238
Cyclohexyl-[6-(2-methoxy-phenyl)-pyridazin-3-yl]-amine
CID 654107
4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 5494638
[6-(2-Methoxy-phenyl)-pyridazin-3-yl]-(3-trifluoromethyl-phenyl)-amine
CID 6411208
(3,4-Dimethoxy-phenyl)-[6-(2-fluoro-phenyl)-pyridazin-3-yl]-amine
CID 6411226
4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine
CID 17129186
N-(4-methoxyphenyl)-N-methyl-4-phenylphthalazin-1-amine
CID 71540053
4-(2-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 71541387
N-(4-ethylphenyl)-4-(4-methoxyphenyl)phthalazin-1-amine
CID 71541582

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 25023032) is N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is COc1ccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is CSRDRRIAJBLMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-12-10-17(13-4-3-5-14(11-13)19(20,21)22)18(25-24-12)23-15-6-8-16(26-2)9-7-15/h3-11H,1-2H3,(H,23,25).
What are the key properties of N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 359.35 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 25023032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).