N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine

C16H18F3N3O — CID 133419788

IUPACN-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCOc1ccccc1CC(C)(C)Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C16H18F3N3O/c1-15(2,10-11-6-4-5-7-12(11)23-3)20-14-9-8-13(21-22-14)16(17,18)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyONLAWZAAWJLSII-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.94
Rot. Bonds5

About N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine

N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133419788) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133419788
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCOc1ccccc1CC(C)(C)Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C16H18F3N3O/c1-15(2,10-11-6-4-5-7-12(11)23-3)20-14-9-8-13(21-22-14)16(17,18)19/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyONLAWZAAWJLSII-UHFFFAOYSA-N
XLogP3.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-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

Related Compounds

3-(difluoromethyl)-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133430008
N-(1-chloro-2-phenylpropan-2-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 105059638
N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133491918
2-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]phenol
CID 115875586
6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine
CID 133419789
4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
CID 65236981
2-anilino-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61047342
N-ethyl-1,1-difluoro-3-(2-methoxyphenyl)-2-methylpropan-2-amine
CID 80605039
N-[(2-ethyl-4-methoxyphenyl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 100629105
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60997285
2,3,3,3-tetrafluoro-2-[(2-methoxyphenyl)methyl]propan-1-amine
CID 115046789

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133419788) is N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine is COc1ccccc1CC(C)(C)Nc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is ONLAWZAAWJLSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-15(2,10-11-6-4-5-7-12(11)23-3)20-14-9-8-13(21-22-14)16(17,18)19/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 325.33 g/mol, XLogP of 3.94, 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)-2-methylpropan-2-yl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133419788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).