6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine

C7H9BrN4 — CID 138576345

IUPAC6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine
SMILESCC1=CNC2C(N)=NC(Br)=CN12
InChIInChI=1S/C7H9BrN4/c1-4-2-10-7-6(9)11-5(8)3-12(4)7/h2-3,7,10H,1H3,(H2,9,11)
InChIKeyRVCMBLXGZNRUFR-UHFFFAOYSA-N
MW229.08 g/mol
LogP0.64
Rot. Bonds

About 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine

6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine (PubChem CID 138576345) has the molecular formula C7H9BrN4 and a molecular weight of 229.08 g/mol. Its IUPAC name is 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine
PubChem CID138576345
Molecular FormulaC7H9BrN4
Molecular Weight229.08 g/mol
Exact Mass228.00
IUPAC Name6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine
SMILESCC1=CNC2C(N)=NC(Br)=CN12
InChIInChI=1S/C7H9BrN4/c1-4-2-10-7-6(9)11-5(8)3-12(4)7/h2-3,7,10H,1H3,(H2,9,11)
InChIKeyRVCMBLXGZNRUFR-UHFFFAOYSA-N
XLogP0.64
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine (CID 138576345) is 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine is CC1=CNC2C(N)=NC(Br)=CN12.
What is the InChIKey of 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is RVCMBLXGZNRUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4/c1-4-2-10-7-6(9)11-5(8)3-12(4)7/h2-3,7,10H,1H3,(H2,9,11).
What are the key properties of 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine?
6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 229.08 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 138576345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).