2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide

C8H10BrN3O — CID 63678790

IUPAC2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)CBr)cn1
InChIInChI=1S/C8H10BrN3O/c1-6-3-11-7(4-10-6)5-12-8(13)2-9/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyDTNWDYYIEXFJAV-UHFFFAOYSA-N
MW244.09 g/mol
LogP0.80
Rot. Bonds3

About 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide

2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 63678790) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID63678790
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)CBr)cn1
InChIInChI=1S/C8H10BrN3O/c1-6-3-11-7(4-10-6)5-12-8(13)2-9/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyDTNWDYYIEXFJAV-UHFFFAOYSA-N
XLogP0.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 63678790) is 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)CBr)cn1.
What is the InChIKey of 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is DTNWDYYIEXFJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-6-3-11-7(4-10-6)5-12-8(13)2-9/h3-4H,2,5H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 244.09 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 63678790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).