N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine

C11H9BrF3N5 — CID 80915262

IUPACN-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine
SMILESNNc1cncc(Nc2ccc(Br)c(C(F)(F)F)c2)n1
InChIInChI=1S/C11H9BrF3N5/c12-8-2-1-6(3-7(8)11(13,14)15)18-9-4-17-5-10(19-9)20-16/h1-5H,16H2,(H2,18,19,20)
InChIKeyPAAOCVSTMIJKMB-UHFFFAOYSA-N
MW348.13 g/mol
LogP3.29
Rot. Bonds3

About N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine

N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine (PubChem CID 80915262) has the molecular formula C11H9BrF3N5 and a molecular weight of 348.13 g/mol. Its IUPAC name is N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine.

Molecular Properties

Compound NameN-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine
PubChem CID80915262
Molecular FormulaC11H9BrF3N5
Molecular Weight348.13 g/mol
Exact Mass347.00
IUPAC NameN-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine
SMILESNNc1cncc(Nc2ccc(Br)c(C(F)(F)F)c2)n1
InChIInChI=1S/C11H9BrF3N5/c12-8-2-1-6(3-7(8)11(13,14)15)18-9-4-17-5-10(19-9)20-16/h1-5H,16H2,(H2,18,19,20)
InChIKeyPAAOCVSTMIJKMB-UHFFFAOYSA-N
XLogP3.29
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.13
LogP ≤ 53.29
H-Bond Donors ≤ 53
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-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine?
The IUPAC name of N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine (CID 80915262) is N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine.
What is the SMILES notation for N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine?
The canonical SMILES for N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine is NNc1cncc(Nc2ccc(Br)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine?
The InChIKey is PAAOCVSTMIJKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N5/c12-8-2-1-6(3-7(8)11(13,14)15)18-9-4-17-5-10(19-9)20-16/h1-5H,16H2,(H2,18,19,20).
What are the key properties of N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine?
N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine has a molecular weight of 348.13 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrazin-2-amine is sourced from PubChem (CID 80915262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).