6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane

C9H13Br2N3 — CID 145425679

IUPAC6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane
SMILESCC.CC1=CNC2C(Br)=NC(Br)=CN12
InChIInChI=1S/C7H7Br2N3.C2H6/c1-4-2-10-7-6(9)11-5(8)3-12(4)7;1-2/h2-3,7,10H,1H3;1-2H3
InChIKeyNYYCMIYHCQRZJU-UHFFFAOYSA-N
MW323.03 g/mol
LogP3.11
Rot. Bonds

About 6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane

6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane (PubChem CID 145425679) has the molecular formula C9H13Br2N3 and a molecular weight of 323.03 g/mol. Its IUPAC name is 6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane.

Molecular Properties

Compound Name6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane
PubChem CID145425679
Molecular FormulaC9H13Br2N3
Molecular Weight323.03 g/mol
Exact Mass320.95
IUPAC Name6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane
SMILESCC.CC1=CNC2C(Br)=NC(Br)=CN12
InChIInChI=1S/C7H7Br2N3.C2H6/c1-4-2-10-7-6(9)11-5(8)3-12(4)7;1-2/h2-3,7,10H,1H3;1-2H3
InChIKeyNYYCMIYHCQRZJU-UHFFFAOYSA-N
XLogP3.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.03
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane?
The IUPAC name of 6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane (CID 145425679) is 6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane.
What is the SMILES notation for 6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane?
The canonical SMILES for 6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane is CC.CC1=CNC2C(Br)=NC(Br)=CN12.
What is the InChIKey of 6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane?
The InChIKey is NYYCMIYHCQRZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N3.C2H6/c1-4-2-10-7-6(9)11-5(8)3-12(4)7;1-2/h2-3,7,10H,1H3;1-2H3.
What are the key properties of 6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane?
6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane has a molecular weight of 323.03 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-3-methyl-1,8a-dihydroimidazo[1,2-a]pyrazine;ethane is sourced from PubChem (CID 145425679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).