3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine

C9H14F3N5 — CID 103061056

IUPAC3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1cnc(NN)cn1
InChIInChI=1S/C9H14F3N5/c1-17(3-2-9(10,11)12)6-7-4-15-8(16-13)5-14-7/h4-5H,2-3,6,13H2,1H3,(H,15,16)
InChIKeyAJQPFGNXAHEEMF-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.15
Rot. Bonds5

About 3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine

3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine (PubChem CID 103061056) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine
PubChem CID103061056
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine
SMILESCN(CCC(F)(F)F)Cc1cnc(NN)cn1
InChIInChI=1S/C9H14F3N5/c1-17(3-2-9(10,11)12)6-7-4-15-8(16-13)5-14-7/h4-5H,2-3,6,13H2,1H3,(H,15,16)
InChIKeyAJQPFGNXAHEEMF-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 3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine (CID 103061056) is 3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine is CN(CCC(F)(F)F)Cc1cnc(NN)cn1.
What is the InChIKey of 3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine?
The InChIKey is AJQPFGNXAHEEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-17(3-2-9(10,11)12)6-7-4-15-8(16-13)5-14-7/h4-5H,2-3,6,13H2,1H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine?
3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine 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 3,3,3-trifluoro-N-[(5-hydrazinylpyrazin-2-yl)methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 103061056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).