6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid

C8H7BrN4O2 — CID 84712820

IUPAC6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid
SMILESCNc1nc(Br)cn2c(C(=O)O)cnc12
InChIInChI=1S/C8H7BrN4O2/c1-10-6-7-11-2-4(8(14)15)13(7)3-5(9)12-6/h2-3H,1H3,(H,10,12)(H,14,15)
InChIKeyZQELDAYWBFHNBF-UHFFFAOYSA-N
MW271.07 g/mol
LogP1.23
Rot. Bonds2

About 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid

6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid (PubChem CID 84712820) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid
PubChem CID84712820
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Name6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid
SMILESCNc1nc(Br)cn2c(C(=O)O)cnc12
InChIInChI=1S/C8H7BrN4O2/c1-10-6-7-11-2-4(8(14)15)13(7)3-5(9)12-6/h2-3H,1H3,(H,10,12)(H,14,15)
InChIKeyZQELDAYWBFHNBF-UHFFFAOYSA-N
XLogP1.23
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid?
The IUPAC name of 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid (CID 84712820) is 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid is CNc1nc(Br)cn2c(C(=O)O)cnc12.
What is the InChIKey of 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid?
The InChIKey is ZQELDAYWBFHNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/c1-10-6-7-11-2-4(8(14)15)13(7)3-5(9)12-6/h2-3H,1H3,(H,10,12)(H,14,15).
What are the key properties of 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid?
6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid has a molecular weight of 271.07 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(methylamino)imidazo[1,2-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 84712820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).