N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

C17H18F3N3O — CID 133491918

IUPACN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCOc1ccccc1C1(CNc2ccc(C(F)(F)F)nn2)CCC1
InChIInChI=1S/C17H18F3N3O/c1-24-13-6-3-2-5-12(13)16(9-4-10-16)11-21-15-8-7-14(22-23-15)17(18,19)20/h2-3,5-8H,4,9-11H2,1H3,(H,21,23)
InChIKeyJHCHZCGHIXXFSR-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.04
Rot. Bonds5

About N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133491918) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133491918
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCOc1ccccc1C1(CNc2ccc(C(F)(F)F)nn2)CCC1
InChIInChI=1S/C17H18F3N3O/c1-24-13-6-3-2-5-12(13)16(9-4-10-16)11-21-15-8-7-14(22-23-15)17(18,19)20/h2-3,5-8H,4,9-11H2,1H3,(H,21,23)
InChIKeyJHCHZCGHIXXFSR-UHFFFAOYSA-N
XLogP4.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)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-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133491918) is N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is COc1ccccc1C1(CNc2ccc(C(F)(F)F)nn2)CCC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is JHCHZCGHIXXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-24-13-6-3-2-5-12(13)16(9-4-10-16)11-21-15-8-7-14(22-23-15)17(18,19)20/h2-3,5-8H,4,9-11H2,1H3,(H,21,23).
What are the key properties of N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 337.35 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133491918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).