6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine

C9H14F3N5 — CID 80901854

IUPAC6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESCCCN(CC(F)(F)F)c1cncc(NN)n1
InChIInChI=1S/C9H14F3N5/c1-2-3-17(6-9(10,11)12)8-5-14-4-7(15-8)16-13/h4-5H,2-3,6,13H2,1H3,(H,15,16)
InChIKeyOIFPEDJQNVKNNO-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.54
Rot. Bonds5

About 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine

6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (PubChem CID 80901854) has the molecular formula C9H14F3N5 and a molecular weight of 249.24 g/mol. Its IUPAC name is 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
PubChem CID80901854
Molecular FormulaC9H14F3N5
Molecular Weight249.24 g/mol
Exact Mass249.12
IUPAC Name6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESCCCN(CC(F)(F)F)c1cncc(NN)n1
InChIInChI=1S/C9H14F3N5/c1-2-3-17(6-9(10,11)12)8-5-14-4-7(15-8)16-13/h4-5H,2-3,6,13H2,1H3,(H,15,16)
InChIKeyOIFPEDJQNVKNNO-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The IUPAC name of 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (CID 80901854) is 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is CCCN(CC(F)(F)F)c1cncc(NN)n1.
What is the InChIKey of 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The InChIKey is OIFPEDJQNVKNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5/c1-2-3-17(6-9(10,11)12)8-5-14-4-7(15-8)16-13/h4-5H,2-3,6,13H2,1H3,(H,15,16).
What are the key properties of 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is sourced from PubChem (CID 80901854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).