1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine

C10H13F3N4 — CID 136571641

IUPAC1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine
SMILESFC(F)(F)CNC1CC(Nc2cnccn2)C1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)6-16-7-3-8(4-7)17-9-5-14-1-2-15-9/h1-2,5,7-8,16H,3-4,6H2,(H,15,17)
InChIKeyVHYOZOAAPLIGPU-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.57
Rot. Bonds4

About 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine

1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine (PubChem CID 136571641) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine
PubChem CID136571641
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine
SMILESFC(F)(F)CNC1CC(Nc2cnccn2)C1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)6-16-7-3-8(4-7)17-9-5-14-1-2-15-9/h1-2,5,7-8,16H,3-4,6H2,(H,15,17)
InChIKeyVHYOZOAAPLIGPU-UHFFFAOYSA-N
XLogP1.57
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine 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 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine (CID 136571641) is 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine is FC(F)(F)CNC1CC(Nc2cnccn2)C1.
What is the InChIKey of 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine?
The InChIKey is VHYOZOAAPLIGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)6-16-7-3-8(4-7)17-9-5-14-1-2-15-9/h1-2,5,7-8,16H,3-4,6H2,(H,15,17).
What are the key properties of 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine?
1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine has a molecular weight of 246.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-pyrazin-2-yl-3-N-(2,2,2-trifluoroethyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 136571641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).