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

C24H17F4N3 — CID 163368869

IUPAC4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
SMILESFc1cccc(-c2cc(-c3ccccc3)nnc2NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H17F4N3/c25-20-8-4-7-18(13-20)21-14-22(17-5-2-1-3-6-17)30-31-23(21)29-15-16-9-11-19(12-10-16)24(26,27)28/h1-14H,15H2,(H,29,31)
InChIKeyOEUIWISJVJEVRU-UHFFFAOYSA-N
MW423.41 g/mol
LogP6.58
Rot. Bonds5

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

4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine (PubChem CID 163368869) has the molecular formula C24H17F4N3 and a molecular weight of 423.41 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
PubChem CID163368869
Molecular FormulaC24H17F4N3
Molecular Weight423.41 g/mol
Exact Mass423.14
IUPAC Name4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine
SMILESFc1cccc(-c2cc(-c3ccccc3)nnc2NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H17F4N3/c25-20-8-4-7-18(13-20)21-14-22(17-5-2-1-3-6-17)30-31-23(21)29-15-16-9-11-19(12-10-16)24(26,27)28/h1-14H,15H2,(H,29,31)
InChIKeyOEUIWISJVJEVRU-UHFFFAOYSA-N
XLogP6.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.41
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 46086055
6-chloro-5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 10363703
5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
CID 45484940
2-(3-fluorophenyl)-1-iodo-4-(trifluoromethyl)benzene
CID 46312833
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
N-benzyl-4-[6-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]pyrimidin-2-amine
CID 142068787
2-[4-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]phenol
CID 142747576
3,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazin-5-amine
CID 81035957
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 171594927
3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 62881850
N-[[4-(trifluoromethyl)phenyl]methyl]cyclohepta[c]pyrazole-3-carboxamide
CID 68959282
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine (CID 163368869) is 4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine is Fc1cccc(-c2cc(-c3ccccc3)nnc2NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
The InChIKey is OEUIWISJVJEVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3/c25-20-8-4-7-18(13-20)21-14-22(17-5-2-1-3-6-17)30-31-23(21)29-15-16-9-11-19(12-10-16)24(26,27)28/h1-14H,15H2,(H,29,31).
What are the key properties of 4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine?
4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine has a molecular weight of 423.41 g/mol, XLogP of 6.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-6-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-amine is sourced from PubChem (CID 163368869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).