1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one

C7H7BrClN3O — CID 20823758

IUPAC1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one
SMILESCC(=O)CNc1ncc(Br)nc1Cl
InChIInChI=1S/C7H7BrClN3O/c1-4(13)2-10-7-6(9)12-5(8)3-11-7/h3H,2H2,1H3,(H,10,11)
InChIKeyVWXSWKBSZWBEBE-UHFFFAOYSA-N
MW264.51 g/mol
LogP1.89
Rot. Bonds3

About 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one

1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one (PubChem CID 20823758) has the molecular formula C7H7BrClN3O and a molecular weight of 264.51 g/mol. Its IUPAC name is 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one
PubChem CID20823758
Molecular FormulaC7H7BrClN3O
Molecular Weight264.51 g/mol
Exact Mass262.95
IUPAC Name1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one
SMILESCC(=O)CNc1ncc(Br)nc1Cl
InChIInChI=1S/C7H7BrClN3O/c1-4(13)2-10-7-6(9)12-5(8)3-11-7/h3H,2H2,1H3,(H,10,11)
InChIKeyVWXSWKBSZWBEBE-UHFFFAOYSA-N
XLogP1.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.51
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one?
The IUPAC name of 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one (CID 20823758) is 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one?
The canonical SMILES for 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one is CC(=O)CNc1ncc(Br)nc1Cl.
What is the InChIKey of 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one?
The InChIKey is VWXSWKBSZWBEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN3O/c1-4(13)2-10-7-6(9)12-5(8)3-11-7/h3H,2H2,1H3,(H,10,11).
What are the key properties of 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one?
1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one has a molecular weight of 264.51 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-chloropyrazin-2-yl)amino]propan-2-one is sourced from PubChem (CID 20823758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).