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

C9H15BrN4 — CID 142562211

IUPAC6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane
SMILESCC.CC1=CNC2C(N)=NC(Br)=CN12
InChIInChI=1S/C7H9BrN4.C2H6/c1-4-2-10-7-6(9)11-5(8)3-12(4)7;1-2/h2-3,7,10H,1H3,(H2,9,11);1-2H3
InChIKeyJBZDWTROEQDWPE-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.67
Rot. Bonds

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

6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane (PubChem CID 142562211) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane.

Molecular Properties

Compound Name6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane
PubChem CID142562211
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane
SMILESCC.CC1=CNC2C(N)=NC(Br)=CN12
InChIInChI=1S/C7H9BrN4.C2H6/c1-4-2-10-7-6(9)11-5(8)3-12(4)7;1-2/h2-3,7,10H,1H3,(H2,9,11);1-2H3
InChIKeyJBZDWTROEQDWPE-UHFFFAOYSA-N
XLogP1.67
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.67
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;ethane?
The IUPAC name of 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane (CID 142562211) is 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane.
What is the SMILES notation for 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane?
The canonical SMILES for 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane is CC.CC1=CNC2C(N)=NC(Br)=CN12.
What is the InChIKey of 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane?
The InChIKey is JBZDWTROEQDWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN4.C2H6/c1-4-2-10-7-6(9)11-5(8)3-12(4)7;1-2/h2-3,7,10H,1H3,(H2,9,11);1-2H3.
What are the key properties of 6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane?
6-bromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazin-8-amine;ethane has a molecular weight of 259.15 g/mol, XLogP of 1.67, 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;ethane is sourced from PubChem (CID 142562211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).