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

C9H12F3N5 — CID 80902317

IUPACN-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESNNc1cncc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C9H12F3N5/c10-9(11,12)5-17(6-1-2-6)8-4-14-3-7(15-8)16-13/h3-4,6H,1-2,5,13H2,(H,15,16)
InChIKeyWNCFOZAANMKAJW-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.29
Rot. Bonds4

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

N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (PubChem CID 80902317) has the molecular formula C9H12F3N5 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
PubChem CID80902317
Molecular FormulaC9H12F3N5
Molecular Weight247.22 g/mol
Exact Mass247.10
IUPAC NameN-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine
SMILESNNc1cncc(N(CC(F)(F)F)C2CC2)n1
InChIInChI=1S/C9H12F3N5/c10-9(11,12)5-17(6-1-2-6)8-4-14-3-7(15-8)16-13/h3-4,6H,1-2,5,13H2,(H,15,16)
InChIKeyWNCFOZAANMKAJW-UHFFFAOYSA-N
XLogP1.29
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.29
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-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The IUPAC name of N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine (CID 80902317) is N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine.
What is the SMILES notation for N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The canonical SMILES for N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is NNc1cncc(N(CC(F)(F)F)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
The InChIKey is WNCFOZAANMKAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5/c10-9(11,12)5-17(6-1-2-6)8-4-14-3-7(15-8)16-13/h3-4,6H,1-2,5,13H2,(H,15,16).
What are the key properties of N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine?
N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine has a molecular weight of 247.22 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyrazin-2-amine is sourced from PubChem (CID 80902317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).