3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine

C7H7BrN4 — CID 3088360

IUPAC3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine
SMILESCNc1nccn2c(Br)cnc12
InChIInChI=1S/C7H7BrN4/c1-9-6-7-11-4-5(8)12(7)3-2-10-6/h2-4H,1H3,(H,9,10)
InChIKeyIYPYESRWCUEMDJ-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.53
Rot. Bonds1

About 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine

3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 3088360) has the molecular formula C7H7BrN4 and a molecular weight of 227.06 g/mol. Its IUPAC name is 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine
PubChem CID3088360
Molecular FormulaC7H7BrN4
Molecular Weight227.06 g/mol
Exact Mass225.99
IUPAC Name3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine
SMILESCNc1nccn2c(Br)cnc12
InChIInChI=1S/C7H7BrN4/c1-9-6-7-11-4-5(8)12(7)3-2-10-6/h2-4H,1H3,(H,9,10)
InChIKeyIYPYESRWCUEMDJ-UHFFFAOYSA-N
XLogP1.53
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine (CID 3088360) is 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine is CNc1nccn2c(Br)cnc12.
What is the InChIKey of 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is IYPYESRWCUEMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4/c1-9-6-7-11-4-5(8)12(7)3-2-10-6/h2-4H,1H3,(H,9,10).
What are the key properties of 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine?
3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 227.06 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 3088360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).