N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

C20H18F3N3 — CID 25022976

IUPACN-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1ccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C20H18F3N3/c1-12-7-8-18(13(2)9-12)24-19-17(10-14(3)25-26-19)15-5-4-6-16(11-15)20(21,22)23/h4-11H,1-3H3,(H,24,26)
InChIKeyWSJHNZJKVHZNNQ-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.83
Rot. Bonds3

About N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 25022976) has the molecular formula C20H18F3N3 and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID25022976
Molecular FormulaC20H18F3N3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC NameN-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1ccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c(C)c1
InChIInChI=1S/C20H18F3N3/c1-12-7-8-18(13(2)9-12)24-19-17(10-14(3)25-26-19)15-5-4-6-16(11-15)20(21,22)23/h4-11H,1-3H3,(H,24,26)
InChIKeyWSJHNZJKVHZNNQ-UHFFFAOYSA-N
XLogP5.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 25022976) is N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is Cc1ccc(Nc2nnc(C)cc2-c2cccc(C(F)(F)F)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is WSJHNZJKVHZNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3/c1-12-7-8-18(13(2)9-12)24-19-17(10-14(3)25-26-19)15-5-4-6-16(11-15)20(21,22)23/h4-11H,1-3H3,(H,24,26).
What are the key properties of N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 357.38 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 25022976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).