N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide

C8H10BrN3O — CID 165022812

IUPACN-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(Br)nc1C
InChIInChI=1S/C8H10BrN3O/c1-5-8(12(3)6(2)13)10-4-7(9)11-5/h4H,1-3H3
InChIKeyIFIROBJFROKFFE-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.53
Rot. Bonds1

About N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide

N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide (PubChem CID 165022812) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide
PubChem CID165022812
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC NameN-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(Br)nc1C
InChIInChI=1S/C8H10BrN3O/c1-5-8(12(3)6(2)13)10-4-7(9)11-5/h4H,1-3H3
InChIKeyIFIROBJFROKFFE-UHFFFAOYSA-N
XLogP1.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide?
The IUPAC name of N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide (CID 165022812) is N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide is CC(=O)N(C)c1ncc(Br)nc1C.
What is the InChIKey of N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide?
The InChIKey is IFIROBJFROKFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-5-8(12(3)6(2)13)10-4-7(9)11-5/h4H,1-3H3.
What are the key properties of N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide?
N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide has a molecular weight of 244.09 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methylpyrazin-2-yl)-N-methylacetamide is sourced from PubChem (CID 165022812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).