N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine

C9H14F3N5 — CID 103060498

IUPACN-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
SMILESCCN(Cc1cnc(NN)cn1)CC(F)(F)F
InChIInChI=1S/C9H14F3N5/c1-2-17(6-9(10,11)12)5-7-3-15-8(16-13)4-14-7/h3-4H,2,5-6,13H2,1H3,(H,15,16)
InChIKeyGHKZBMFMKCQZFE-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.15
Rot. Bonds5

About N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine

N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine (PubChem CID 103060498) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
PubChem CID103060498
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine
SMILESCCN(Cc1cnc(NN)cn1)CC(F)(F)F
InChIInChI=1S/C9H14F3N5/c1-2-17(6-9(10,11)12)5-7-3-15-8(16-13)4-14-7/h3-4H,2,5-6,13H2,1H3,(H,15,16)
InChIKeyGHKZBMFMKCQZFE-UHFFFAOYSA-N
XLogP1.15
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.15
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 N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine (CID 103060498) is N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine is CCN(Cc1cnc(NN)cn1)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is GHKZBMFMKCQZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-2-17(6-9(10,11)12)5-7-3-15-8(16-13)4-14-7/h3-4H,2,5-6,13H2,1H3,(H,15,16).
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 249.24 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 103060498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).