N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine

C14H20F3N3O — CID 75437983

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCOC1CC(N(C)c2ccc(C(F)(F)F)nn2)C1(C)C
InChIInChI=1S/C14H20F3N3O/c1-5-21-11-8-10(13(11,2)3)20(4)12-7-6-9(18-19-12)14(15,16)17/h6-7,10-11H,5,8H2,1-4H3
InChIKeyIKNCVAZLUSKNTC-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.14
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 75437983) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID75437983
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine
SMILESCCOC1CC(N(C)c2ccc(C(F)(F)F)nn2)C1(C)C
InChIInChI=1S/C14H20F3N3O/c1-5-21-11-8-10(13(11,2)3)20(4)12-7-6-9(18-19-12)14(15,16)17/h6-7,10-11H,5,8H2,1-4H3
InChIKeyIKNCVAZLUSKNTC-UHFFFAOYSA-N
XLogP3.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-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-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine (CID 75437983) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine is CCOC1CC(N(C)c2ccc(C(F)(F)F)nn2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is IKNCVAZLUSKNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-5-21-11-8-10(13(11,2)3)20(4)12-7-6-9(18-19-12)14(15,16)17/h6-7,10-11H,5,8H2,1-4H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 303.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-methyl-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 75437983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).