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

C10H11F3N4 — CID 80510564

IUPAC3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
SMILESCC(C)N(CC(F)(F)F)c1nnccc1C#N
InChIInChI=1S/C10H11F3N4/c1-7(2)17(6-10(11,12)13)9-8(5-14)3-4-15-16-9/h3-4,7H,6H2,1-2H3
InChIKeyGDBINPHMVKTNDI-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.13
Rot. Bonds3

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

3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile (PubChem CID 80510564) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
PubChem CID80510564
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile
SMILESCC(C)N(CC(F)(F)F)c1nnccc1C#N
InChIInChI=1S/C10H11F3N4/c1-7(2)17(6-10(11,12)13)9-8(5-14)3-4-15-16-9/h3-4,7H,6H2,1-2H3
InChIKeyGDBINPHMVKTNDI-UHFFFAOYSA-N
XLogP2.13
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[propan-2-yl(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-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile (CID 80510564) is 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile is CC(C)N(CC(F)(F)F)c1nnccc1C#N.
What is the InChIKey of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
The InChIKey is GDBINPHMVKTNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-7(2)17(6-10(11,12)13)9-8(5-14)3-4-15-16-9/h3-4,7H,6H2,1-2H3.
What are the key properties of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile?
3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile has a molecular weight of 244.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80510564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).