N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

C20H17ClF3N3 — CID 25023090

IUPACN-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(NC(C)c2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H17ClF3N3/c1-12-10-18(15-4-3-5-16(11-15)20(22,23)24)19(27-26-12)25-13(2)14-6-8-17(21)9-7-14/h3-11,13H,1-2H3,(H,25,27)
InChIKeyAUWIDQVEQHDWAH-UHFFFAOYSA-N
MW391.82 g/mol
LogP6.30
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 25023090) has the molecular formula C20H17ClF3N3 and a molecular weight of 391.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID25023090
Molecular FormulaC20H17ClF3N3
Molecular Weight391.82 g/mol
Exact Mass391.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCc1cc(-c2cccc(C(F)(F)F)c2)c(NC(C)c2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H17ClF3N3/c1-12-10-18(15-4-3-5-16(11-15)20(22,23)24)19(27-26-12)25-13(2)14-6-8-17(21)9-7-14/h3-11,13H,1-2H3,(H,25,27)
InChIKeyAUWIDQVEQHDWAH-UHFFFAOYSA-N
XLogP6.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.82
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-chlorophenyl)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 25023090) is N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is Cc1cc(-c2cccc(C(F)(F)F)c2)c(NC(C)c2ccc(Cl)cc2)nn1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is AUWIDQVEQHDWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3/c1-12-10-18(15-4-3-5-16(11-15)20(22,23)24)19(27-26-12)25-13(2)14-6-8-17(21)9-7-14/h3-11,13H,1-2H3,(H,25,27).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 391.82 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 25023090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).