[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine

C12H15F3N4 — CID 177168176

IUPAC[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(C(F)(F)F)c(N2CC3(CCC3)C2)n1
InChIInChI=1S/C12H15F3N4/c13-12(14,15)8-2-3-9(18-16)17-10(8)19-6-11(7-19)4-1-5-11/h2-3H,1,4-7,16H2,(H,17,18)
InChIKeyXNYBNSLJBNRJQD-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.38
Rot. Bonds2

About [6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine

[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 177168176) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is [6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID177168176
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC Name[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESNNc1ccc(C(F)(F)F)c(N2CC3(CCC3)C2)n1
InChIInChI=1S/C12H15F3N4/c13-12(14,15)8-2-3-9(18-16)17-10(8)19-6-11(7-19)4-1-5-11/h2-3H,1,4-7,16H2,(H,17,18)
InChIKeyXNYBNSLJBNRJQD-UHFFFAOYSA-N
XLogP2.38
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of [6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 177168176) is [6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine is NNc1ccc(C(F)(F)F)c(N2CC3(CCC3)C2)n1.
What is the InChIKey of [6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is XNYBNSLJBNRJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4/c13-12(14,15)8-2-3-9(18-16)17-10(8)19-6-11(7-19)4-1-5-11/h2-3H,1,4-7,16H2,(H,17,18).
What are the key properties of [6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine?
[6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 272.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-azaspiro[3.3]heptan-2-yl)-5-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 177168176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).