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

C18H14F3N3 — CID 25023091

IUPAC6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccc2)nn1
InChIInChI=1S/C18H14F3N3/c1-12-10-16(13-6-5-7-14(11-13)18(19,20)21)17(24-23-12)22-15-8-3-2-4-9-15/h2-11H,1H3,(H,22,24)
InChIKeyQCVKVZFJMSQTPU-UHFFFAOYSA-N
MW329.33 g/mol
LogP5.21
Rot. Bonds3

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

6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 25023091) has the molecular formula C18H14F3N3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID25023091
Molecular FormulaC18H14F3N3
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccc2)nn1
InChIInChI=1S/C18H14F3N3/c1-12-10-16(13-6-5-7-14(11-13)18(19,20)21)17(24-23-12)22-15-8-3-2-4-9-15/h2-11H,1H3,(H,22,24)
InChIKeyQCVKVZFJMSQTPU-UHFFFAOYSA-N
XLogP5.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.33
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 25023091) is 6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccccc2)nn1.
What is the InChIKey of 6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is QCVKVZFJMSQTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3/c1-12-10-16(13-6-5-7-14(11-13)18(19,20)21)17(24-23-12)22-15-8-3-2-4-9-15/h2-11H,1H3,(H,22,24).
What are the key properties of 6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 329.33 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-phenyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 25023091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).