6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine

C9H14F3N5 — CID 115523318

IUPAC6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine
SMILESNNc1cncc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5/c10-9(11,12)3-1-2-4-15-7-5-14-6-8(16-7)17-13/h5-6H,1-4,13H2,(H2,15,16,17)
InChIKeyUSXIQGFUYDFDCM-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.91
Rot. Bonds6

About 6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine

6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine (PubChem CID 115523318) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine
PubChem CID115523318
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine
SMILESNNc1cncc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C9H14F3N5/c10-9(11,12)3-1-2-4-15-7-5-14-6-8(16-7)17-13/h5-6H,1-4,13H2,(H2,15,16,17)
InChIKeyUSXIQGFUYDFDCM-UHFFFAOYSA-N
XLogP1.91
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine (CID 115523318) is 6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine is NNc1cncc(NCCCCC(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine?
The InChIKey is USXIQGFUYDFDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c10-9(11,12)3-1-2-4-15-7-5-14-6-8(16-7)17-13/h5-6H,1-4,13H2,(H2,15,16,17).
What are the key properties of 6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine?
6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(5,5,5-trifluoropentyl)pyrazin-2-amine is sourced from PubChem (CID 115523318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).