[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C11H14F3N5 — CID 106775519

IUPAC[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CC3CCC2C3)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5/c12-11(13,14)10-16-8(18-15)4-9(17-10)19-5-6-1-2-7(19)3-6/h4,6-7H,1-3,5,15H2,(H,16,17,18)
InChIKeyCLBGGWFNIJFNHG-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.77
Rot. Bonds2

About [6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106775519) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is [6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106775519
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(N2CC3CCC2C3)nc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N5/c12-11(13,14)10-16-8(18-15)4-9(17-10)19-5-6-1-2-7(19)3-6/h4,6-7H,1-3,5,15H2,(H,16,17,18)
InChIKeyCLBGGWFNIJFNHG-UHFFFAOYSA-N
XLogP1.77
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106775519) is [6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is NNc1cc(N2CC3CCC2C3)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is CLBGGWFNIJFNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c12-11(13,14)10-16-8(18-15)4-9(17-10)19-5-6-1-2-7(19)3-6/h4,6-7H,1-3,5,15H2,(H,16,17,18).
What are the key properties of [6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 273.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106775519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).