2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide

C12H10Br2N4 — CID 175691513

IUPAC2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide
SMILES[H]/N=C(\N)C(c1ccccc1)c1ncc(Br)nc1Br
InChIInChI=1S/C12H10Br2N4/c13-8-6-17-10(11(14)18-8)9(12(15)16)7-4-2-1-3-5-7/h1-6,9H,(H3,15,16)
InChIKeyZRXPDBCKXYQNPZ-UHFFFAOYSA-N
MW370.05 g/mol
LogP3.07
Rot. Bonds3

About 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide

2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide (PubChem CID 175691513) has the molecular formula C12H10Br2N4 and a molecular weight of 370.05 g/mol. Its IUPAC name is 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide.

Molecular Properties

Compound Name2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide
PubChem CID175691513
Molecular FormulaC12H10Br2N4
Molecular Weight370.05 g/mol
Exact Mass367.93
IUPAC Name2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide
SMILES[H]/N=C(\N)C(c1ccccc1)c1ncc(Br)nc1Br
InChIInChI=1S/C12H10Br2N4/c13-8-6-17-10(11(14)18-8)9(12(15)16)7-4-2-1-3-5-7/h1-6,9H,(H3,15,16)
InChIKeyZRXPDBCKXYQNPZ-UHFFFAOYSA-N
XLogP3.07
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.05
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide?
The IUPAC name of 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide (CID 175691513) is 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide.
What is the SMILES notation for 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide?
The canonical SMILES for 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide is [H]/N=C(\N)C(c1ccccc1)c1ncc(Br)nc1Br.
What is the InChIKey of 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide?
The InChIKey is ZRXPDBCKXYQNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N4/c13-8-6-17-10(11(14)18-8)9(12(15)16)7-4-2-1-3-5-7/h1-6,9H,(H3,15,16).
What are the key properties of 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide?
2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide has a molecular weight of 370.05 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromopyrazin-2-yl)-2-phenylethanimidamide is sourced from PubChem (CID 175691513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).