3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile

C8H7F3N4 — CID 80510520

IUPAC3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
SMILESCN(CC(F)(F)F)c1nnccc1C#N
InChIInChI=1S/C8H7F3N4/c1-15(5-8(9,10)11)7-6(4-12)2-3-13-14-7/h2-3H,5H2,1H3
InChIKeyZGFVPAIODRMLHY-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.35
Rot. Bonds2

About 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile

3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile (PubChem CID 80510520) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
PubChem CID80510520
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
SMILESCN(CC(F)(F)F)c1nnccc1C#N
InChIInChI=1S/C8H7F3N4/c1-15(5-8(9,10)11)7-6(4-12)2-3-13-14-7/h2-3H,5H2,1H3
InChIKeyZGFVPAIODRMLHY-UHFFFAOYSA-N
XLogP1.35
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile 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 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile (CID 80510520) is 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile is CN(CC(F)(F)F)c1nnccc1C#N.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The InChIKey is ZGFVPAIODRMLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c1-15(5-8(9,10)11)7-6(4-12)2-3-13-14-7/h2-3H,5H2,1H3.
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile has a molecular weight of 216.17 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).