N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine

C15H16F3N3OS — CID 133420068

IUPACN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(N(Cc2cccs2)CC2CCCO2)nn1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)13-5-6-14(20-19-13)21(9-11-3-1-7-22-11)10-12-4-2-8-23-12/h2,4-6,8,11H,1,3,7,9-10H2
InChIKeyLAQNDLZLYBVIOV-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.74
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine

N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133420068) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133420068
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC NameN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(N(Cc2cccs2)CC2CCCO2)nn1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)13-5-6-14(20-19-13)21(9-11-3-1-7-22-11)10-12-4-2-8-23-12/h2,4-6,8,11H,1,3,7,9-10H2
InChIKeyLAQNDLZLYBVIOV-UHFFFAOYSA-N
XLogP3.74
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-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-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine (CID 133420068) is N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(N(Cc2cccs2)CC2CCCO2)nn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is LAQNDLZLYBVIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c16-15(17,18)13-5-6-14(20-19-13)21(9-11-3-1-7-22-11)10-12-4-2-8-23-12/h2,4-6,8,11H,1,3,7,9-10H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 343.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133420068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).