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

C18H13ClF3N3 — CID 25023035

IUPACN-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H13ClF3N3/c1-11-9-16(12-3-2-4-13(10-12)18(20,21)22)17(25-24-11)23-15-7-5-14(19)6-8-15/h2-10H,1H3,(H,23,25)
InChIKeyLFSQFVUXEVMSSI-UHFFFAOYSA-N
MW363.77 g/mol
LogP5.87
Rot. Bonds3

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

N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 25023035) has the molecular formula C18H13ClF3N3 and a molecular weight of 363.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID25023035
Molecular FormulaC18H13ClF3N3
Molecular Weight363.77 g/mol
Exact Mass363.08
IUPAC NameN-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(Cl)cc2)nn1
InChIInChI=1S/C18H13ClF3N3/c1-11-9-16(12-3-2-4-13(10-12)18(20,21)22)17(25-24-11)23-15-7-5-14(19)6-8-15/h2-10H,1H3,(H,23,25)
InChIKeyLFSQFVUXEVMSSI-UHFFFAOYSA-N
XLogP5.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.77
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 25023035) is N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is Cc1cc(-c2cccc(C(F)(F)F)c2)c(Nc2ccc(Cl)cc2)nn1.
What is the InChIKey of N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is LFSQFVUXEVMSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3/c1-11-9-16(12-3-2-4-13(10-12)18(20,21)22)17(25-24-11)23-15-7-5-14(19)6-8-15/h2-10H,1H3,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 363.77 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 25023035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).